data_2lr1_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 2lr1 _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 ' 15' ' ' SER . . . . . 1.005 ' O ' HD11 ' A' ' 19' ' ' ILE . 94.2 p . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.815 0.341 . . . . 0.0 110.646 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.3 m -97.82 -17.22 19.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.591 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.446 ' HA ' ' OE1' ' A' ' 17' ' ' GLU . 47.1 mm-40 -63.73 -52.35 60.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.593 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.54 ' CD ' ' O ' ' A' ' 18' ' ' GLN . 3.4 tm0? -70.23 -20.45 63.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.565 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 1.005 HD11 ' O ' ' A' ' 15' ' ' SER . 87.2 mt -84.29 -56.08 6.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.541 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 46.4 ttp -52.19 -37.27 54.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.571 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 40.7 tptt -66.51 -46.89 74.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.517 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 47.7 m -71.86 -7.09 46.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.517 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -80.18 -54.1 3.93 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.71 -8.71 58.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.809 0.338 . . . . 0.0 110.517 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.552 ' O ' ' C ' ' A' ' 26' ' ' LEU . 2.1 mm? -86.99 -81.03 0.23 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.566 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.552 ' C ' ' O ' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -26.57 -65.88 0.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.587 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.421 ' C ' ' N ' ' A' ' 29' ' ' GLY . 4.6 tp -51.15 -57.96 7.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.559 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 7.4 tp-100 -47.28 -18.04 0.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.54 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.542 ' O ' ' N ' ' A' ' 31' ' ' ILE . . . -88.68 -72.77 1.28 Allowed Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.961 -0.855 . . . . 0.0 110.961 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 42.0 t80 -42.15 -18.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.77 0.319 . . . . 0.0 110.544 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.542 ' N ' ' O ' ' A' ' 29' ' ' GLY . 84.7 mt -76.97 -69.26 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.605 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.582 ' NE2' ' HB2' ' A' ' 43' ' ' PRO . 33.5 tt0 -78.85 30.16 0.2 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.564 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.45 ' H ' ' C ' ' A' ' 31' ' ' ILE . 67.0 t0 -113.17 -50.92 2.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.536 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 -91.38 -26.92 18.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.534 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -99.31 -12.66 20.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.575 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.658 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 -179.976 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.582 ' HB2' ' NE2' ' A' ' 32' ' ' GLN . 35.1 Cg_endo . . . . . 0 N--CA 1.493 1.464 0 CA-C-O 120.856 0.273 . . . . 0.0 112.048 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -75.67 -15.13 60.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.65 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.575 ' CD2' ' N ' ' A' ' 45' ' ' LEU . 0.5 OUTLIER -93.6 64.28 3.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.609 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -83.49 131.79 34.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.579 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.583 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.453 ' OD1' ' O ' ' A' ' 53' ' ' ASP . 50.7 p-10 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.816 0.341 . . . . 0.0 110.609 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -83.84 -2.31 56.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.576 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 13.9 t -58.07 -39.78 79.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.546 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 77.0 p -81.83 -33.83 30.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.572 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 31.5 tptt -50.43 -54.76 19.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.566 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 30.6 ttpt -59.9 -47.74 84.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.576 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.98 -26.33 68.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.541 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.5 t -71.37 -35.35 71.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.579 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -63.81 -31.74 73.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.582 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 93.3 m -64.28 -37.8 88.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.556 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 10.0 mp -75.36 -24.65 57.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.525 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.463 ' HZ2' ' CB ' ' A' ' 64' ' ' LYS . 7.9 ttpm? -84.28 -36.63 22.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.58 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.441 ' O ' ' OE2' ' A' ' 69' ' ' GLU . 99.7 mtt180 -68.53 -44.43 74.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.573 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 19.1 tt -76.52 -35.02 25.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.571 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.426 ' O ' ' CB ' ' A' ' 71' ' ' ASP . . . -61.08 -45.36 96.73 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 57.5 t0 -62.76 -34.32 76.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.806 0.336 . . . . 0.0 110.56 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.536 ' OE1' ' N ' ' A' ' 69' ' ' GLU . 0.3 OUTLIER -79.64 -58.54 3.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.54 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.447 ' O ' ' OE1' ' A' ' 77' ' ' GLN . 2.3 mt -55.07 -43.13 73.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.596 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.426 ' CB ' ' O ' ' A' ' 67' ' ' GLY . 54.3 t0 -65.03 -8.79 17.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.539 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.2 t -96.4 7.09 47.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.578 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.448 ' O ' ' OE1' ' A' ' 77' ' ' GLN . 7.7 m120 -93.0 111.46 23.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.578 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 95.8 mmm -68.27 -11.23 59.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.571 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -80.4 -67.19 0.79 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.581 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 54.8 tp -59.88 -40.26 88.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.576 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.448 ' OE1' ' O ' ' A' ' 73' ' ' ASN . 1.2 mp0 -61.75 -37.92 86.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.604 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 75.1 ttt180 -68.54 -44.87 73.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.591 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 74.2 mtp -54.57 -43.86 72.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.593 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.515 ' O ' HG12 ' A' ' 83' ' ' VAL . 86.1 mt -62.37 -23.8 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.552 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -85.96 -18.65 32.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.596 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -86.66 -15.11 40.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.604 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.616 ' O ' ' CG1' ' A' ' 83' ' ' VAL . 7.7 p -89.69 82.58 2.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.604 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 55.3 p-10 -41.06 161.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.516 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 86.9 m -118.94 121.18 39.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.657 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -149.82 0.15 0.47 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.49 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.411 ' O ' HG11 ' A' ' 91' ' ' VAL . 47.4 t -175.94 86.31 0.29 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.512 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.509 ' O ' ' CB ' ' A' ' 92' ' ' PHE . 31.6 Cg_endo -66.95 -16.51 49.87 Favored 'Trans proline' 0 C--N 1.305 -1.738 0 C-N-CA 122.779 2.319 . . . . 0.0 112.051 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 16.2 ptt-85 -85.15 -34.96 22.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.509 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -78.27 -58.11 3.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.505 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.477 ' CG1' ' N ' ' A' ' 92' ' ' PHE . 9.6 p -56.98 -51.54 67.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.526 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.509 ' CB ' ' O ' ' A' ' 88' ' ' PRO . 81.0 t80 -45.79 -52.54 11.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.489 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -67.49 -30.67 70.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.522 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 15.9 tpp180 -71.36 -58.11 3.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.492 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.442 ' CG2' ' N ' ' A' ' 96' ' ' ALA . 28.8 m -59.24 -48.1 88.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.556 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.442 ' N ' ' CG2' ' A' ' 95' ' ' VAL . . . -55.04 -27.69 46.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.542 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -81.9 -38.9 24.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.546 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 99' ' ' MET . 99.5 m-20 -63.14 -38.7 92.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.532 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' MET . . . . . 0.495 ' HB2' HH21 ' A' ' 109' ' ' ARG . 64.0 mtt -38.35 -68.95 0.13 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.537 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.601 ' CD2' ' O ' ' A' ' 100' ' ' PHE . 15.8 p90 -111.18 57.6 0.62 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.564 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.3 t -74.74 -26.8 60.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.571 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . 0.535 ' O ' ' C ' ' A' ' 103' ' ' GLY . 54.6 p-10 -155.6 -18.3 0.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.536 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.535 ' C ' ' O ' ' A' ' 102' ' ' ASP . . . -26.37 -80.67 0.01 OUTLIER Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . 0.608 ' O ' ' CG ' ' A' ' 105' ' ' PHE . 28.1 t-20 174.5 34.42 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.804 0.335 . . . . 0.0 110.568 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.608 ' CG ' ' O ' ' A' ' 104' ' ' ASN . 32.0 p90 42.6 29.15 0.15 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.555 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . 0.546 ' CG ' ' H ' ' A' ' 107' ' ' TRP . 28.5 p30 -52.2 -110.43 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.547 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' TRP . . . . . 0.546 ' H ' ' CG ' ' A' ' 106' ' ' ASN . 6.7 t90 174.55 -26.15 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.561 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . 0.428 ' O ' HG13 ' A' ' 111' ' ' VAL . . . -50.18 -42.07 40.0 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . 0.495 HH21 ' HB2' ' A' ' 99' ' ' MET . 0.0 OUTLIER -48.14 -26.0 1.7 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.783 0.325 . . . . 0.0 110.582 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.486 ' N ' ' HD3' ' A' ' 109' ' ' ARG . 36.6 t -52.68 -57.91 3.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.477 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.556 ' CG1' ' N ' ' A' ' 112' ' ' ALA . 4.5 p -45.24 -46.76 3.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.535 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.556 ' N ' ' CG1' ' A' ' 111' ' ' VAL . . . -58.12 -35.08 70.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.513 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.2 tt -56.82 -46.76 81.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.541 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . 0.433 ' CZ ' ' CG1' ' A' ' 110' ' ' VAL . 10.3 m-85 -57.25 -44.02 83.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.546 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 92.0 t80 -68.05 -43.58 78.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.511 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 94.0 t80 -59.12 -41.85 89.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.535 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -71.01 -32.49 69.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.551 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 5.1 t -48.65 -44.21 37.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.496 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.819 ' O ' ' CB ' ' A' ' 123' ' ' LYS . 56.4 mmtt -59.98 -43.63 94.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.536 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 51.1 mt -68.17 -30.9 70.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.557 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.408 ' O ' ' CD1' ' A' ' 133' ' ' ILE . 60.4 t -77.4 -53.49 14.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.562 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 68.4 mt -73.13 -40.52 64.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.529 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.819 ' CB ' ' O ' ' A' ' 119' ' ' LYS . 89.1 tttt -58.37 -40.86 83.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.542 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.467 ' O ' ' OG1' ' A' ' 127' ' ' THR . . . -76.3 -20.54 57.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.574 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 35.6 tp -64.44 -30.55 71.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.568 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' CYS . . . . . 0.497 ' SG ' ' N ' ' A' ' 127' ' ' THR . 8.5 p -84.57 -35.78 22.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.569 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' THR . . . . . 0.559 ' O ' ' CB ' ' A' ' 128' ' ' LYS . 38.8 p -54.35 -17.04 2.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.586 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . 0.559 ' CB ' ' O ' ' A' ' 127' ' ' THR . 47.6 tttm 85.14 46.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.579 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . 0.529 ' CG2' ' OG1' ' A' ' 127' ' ' THR . 0.2 OUTLIER -148.37 86.91 5.79 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.57 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -69.22 -15.44 39.12 Favored 'Trans proline' 0 C--N 1.304 -1.77 0 C-N-CA 122.84 2.36 . . . . 0.0 112.066 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -63.57 -42.02 98.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.504 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 8.6 mp -60.09 -34.19 73.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.521 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . 0.408 ' CD1' ' O ' ' A' ' 121' ' ' VAL . 21.4 mm -56.91 -50.05 76.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.51 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 91.2 mtm-85 -69.28 -34.69 75.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.502 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 8.3 m -67.23 -32.01 72.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.494 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 47.7 mt -69.68 -58.84 4.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.539 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' MET . . . . . 0.414 ' O ' ' OG1' ' A' ' 140' ' ' THR . 49.6 mtt -46.44 -25.58 0.69 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.523 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -68.56 -40.58 86.08 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' TRP . . . . . 0.51 ' CD1' ' N ' ' A' ' 139' ' ' TRP . 13.3 m0 -66.27 -24.52 66.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.804 0.335 . . . . 0.0 110.518 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' THR . . . . . 0.479 ' OG1' ' N ' ' A' ' 141' ' ' LEU . 20.1 p -75.5 -65.79 0.85 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.562 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . 0.479 ' N ' ' OG1' ' A' ' 140' ' ' THR . 4.1 tp -51.83 -33.59 36.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.527 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -65.8 -51.08 61.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.56 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . 0.462 ' O ' ' HB2' ' A' ' 147' ' ' ARG . 38.6 t80 -66.73 -38.9 87.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.604 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 1.7 tp -71.06 -35.52 71.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.562 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 59.8 ttp180 -83.03 -10.67 58.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.569 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -112.0 -4.55 14.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.607 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . 1.153 ' O ' ' N ' ' A' ' 149' ' ' LEU . 22.8 mmt180 -142.28 -110.85 0.13 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.555 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . 0.697 ' O ' ' N ' ' A' ' 152' ' ' ILE . 1.0 OUTLIER -15.42 -27.72 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.57 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . 1.153 ' N ' ' O ' ' A' ' 147' ' ' ARG . 1.2 tt -49.18 -56.2 10.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.574 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -63.97 -50.55 60.03 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 151' ' ' TRP . . . . . . . . . . . . . 34.0 m95 -66.36 -55.79 14.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.827 0.346 . . . . 0.0 110.56 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 152' ' ' ILE . . . . . 0.697 ' N ' ' O ' ' A' ' 148' ' ' LEU . 8.2 tt -51.36 -34.24 14.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.553 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . 0.401 ' N ' HG22 ' A' ' 152' ' ' ILE . 55.5 tt0 -67.54 -31.17 71.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.57 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -89.16 -4.54 58.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.591 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -97.53 0.78 48.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.566 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 83.68 24.63 49.26 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 89.83 -160.3 28.62 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 158' ' ' TRP . . . . . 0.458 ' CE2' ' CD1' ' A' ' 152' ' ' ILE . 99.2 m95 -73.94 -5.69 42.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.778 0.323 . . . . 0.0 110.569 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -60.84 -42.45 97.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.593 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -54.44 -32.13 52.18 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 2.1 tt -63.02 -53.99 45.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.838 0.351 . . . . 0.0 110.566 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 44.1 tp -67.14 -31.06 71.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.539 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 5.1 t -66.81 -26.1 66.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.614 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 164' ' ' TYR . . . . . 0.42 ' C ' ' H ' ' A' ' 166' ' ' GLY . 91.1 t80 -76.9 -42.51 39.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.591 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -71.66 48.13 0.14 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.588 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 166' ' ' GLY . . . . . 0.42 ' H ' ' C ' ' A' ' 164' ' ' TYR . . . -131.3 39.53 1.76 Allowed Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 167' ' ' THR . . . . . 1.005 ' OG1' ' HD2' ' A' ' 168' ' ' PRO . 0.6 OUTLIER -108.94 178.58 1.01 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 120.898 0.38 . . . . 0.0 110.537 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 168' ' ' PRO . . . . . 1.005 ' HD2' ' OG1' ' A' ' 167' ' ' THR . 43.0 Cg_endo -71.45 -145.69 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.727 0 C-N-CA 122.777 2.318 . . . . 0.0 112.092 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 169' ' ' THR . . . . . 0.589 ' C ' ' O ' ' A' ' 168' ' ' PRO . 7.1 p -23.39 102.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.532 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 170' ' ' TRP . . . . . 0.618 ' O ' HG23 ' A' ' 173' ' ' VAL . 33.1 p90 -65.45 -18.52 65.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.551 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 171' ' ' GLN . . . . . 0.524 ' NE2' ' OG1' ' A' ' 172' ' ' THR . 5.4 pp0? -47.16 -14.35 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.581 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 172' ' ' THR . . . . . 0.524 ' OG1' ' NE2' ' A' ' 171' ' ' GLN . 4.9 m -86.73 -29.56 22.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.574 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 173' ' ' VAL . . . . . 0.618 HG23 ' O ' ' A' ' 170' ' ' TRP . 2.0 m -72.1 -45.64 61.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.596 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 174' ' ' THR . . . . . 0.566 ' N ' ' CG2' ' A' ' 173' ' ' VAL . 24.7 m -64.59 -24.95 67.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.535 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 175' ' ' ILE . . . . . 0.423 HG23 ' O ' ' A' ' 172' ' ' THR . 1.6 tt -85.75 -7.53 10.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.573 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 176' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -94.65 -60.05 1.79 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.563 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 3.2 m -62.11 -16.71 16.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.582 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 178' ' ' ALA . . . . . 0.635 ' O ' ' OG1' ' A' ' 182' ' ' THR . . . -95.52 -45.91 6.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.599 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -62.3 -26.2 67.59 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 180' ' ' VAL . . . . . 0.517 ' CG1' ' N ' ' A' ' 181' ' ' LEU . 13.8 p -86.24 -51.74 12.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.802 0.334 . . . . 0.0 110.557 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 181' ' ' LEU . . . . . 0.517 ' N ' ' CG1' ' A' ' 180' ' ' VAL . 38.2 tp -69.31 -47.96 62.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.604 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 182' ' ' THR . . . . . 0.635 ' OG1' ' O ' ' A' ' 178' ' ' ALA . 25.3 m -50.48 -51.43 47.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.558 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -47.35 -45.72 24.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.564 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 184' ' ' SER . . . . . . . . . . . . . 29.4 t -54.45 -37.84 65.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.559 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 55.2 mt -77.71 -21.66 51.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.542 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 21.6 m -73.28 -44.88 58.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.576 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 187' ' ' ILE . . . . . 0.504 ' O ' ' C ' ' A' ' 188' ' ' TRP . 12.9 tt -73.61 -51.71 23.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.579 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 188' ' ' TRP . . . . . 0.504 ' C ' ' O ' ' A' ' 187' ' ' ILE . 0.2 OUTLIER -30.65 -56.96 0.21 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.589 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 7.6 mmtt -175.74 128.28 0.24 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.509 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 190' ' ' LYS . . . . . . . . . . . . . 14.6 ptmt -109.89 89.58 3.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.554 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 191' ' ' MET . . . . . . . . . . . . . 91.4 mtp -128.61 136.59 50.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.537 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.738 0 CA-C-O 118.03 -1.428 . . . . 0.0 110.932 -179.993 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 1.118 ' O ' HD11 ' A' ' 19' ' ' ILE . 1.1 p . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.748 0.309 . . . . 0.0 110.519 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.6 m -98.63 -12.75 20.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.568 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -84.19 -49.77 8.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.637 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.49 ' CD ' ' O ' ' A' ' 18' ' ' GLN . 3.5 tm0? -65.97 -22.8 66.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.508 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 1.118 HD11 ' O ' ' A' ' 15' ' ' SER . 90.6 mt -82.1 -55.85 7.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.433 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 51.0 ttp -52.59 -36.87 57.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.574 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 64.3 mmtt -66.85 -46.58 74.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.591 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 33.0 m -72.17 -7.24 48.06 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.512 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -80.08 -54.05 3.98 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.64 -8.81 59.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.736 0.303 . . . . 0.0 110.468 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.551 ' O ' ' C ' ' A' ' 26' ' ' LEU . 6.2 mt -86.93 -80.87 0.24 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.514 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.551 ' C ' ' O ' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -26.75 -65.93 0.07 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.596 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.419 ' C ' ' N ' ' A' ' 29' ' ' GLY . 5.6 tp -51.03 -57.93 7.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.542 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.426 ' O ' ' CD2' ' A' ' 45' ' ' LEU . 8.1 tm0? -47.36 -18.12 0.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.617 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.539 ' O ' ' N ' ' A' ' 31' ' ' ILE . . . -88.56 -72.71 1.28 Allowed Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 42.7 t80 -42.23 -18.83 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.825 0.345 . . . . 0.0 110.568 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.539 ' N ' ' O ' ' A' ' 29' ' ' GLY . 88.8 mt -77.02 -69.16 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.557 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.517 ' CG ' ' O ' ' A' ' 32' ' ' GLN . 9.3 tt0 -79.0 30.04 0.21 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.57 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.449 ' H ' ' C ' ' A' ' 31' ' ' ILE . 66.4 t0 -112.94 -51.06 2.85 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.554 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 -91.17 -27.1 18.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.555 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -99.53 -12.63 19.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.576 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.661 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 -179.968 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.402 ' HB3' ' OE1' ' A' ' 32' ' ' GLN . 59.6 Cg_exo . . . . . 0 N--CA 1.49 1.318 0 CA-C-O 120.801 0.251 . . . . 0.0 112.132 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.425 ' OE1' ' N ' ' A' ' 44' ' ' GLU . 54.1 mp0 -95.64 -7.88 36.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.564 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.513 ' HG ' ' O ' ' A' ' 45' ' ' LEU . 50.5 tp -99.49 60.06 1.13 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.579 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.825 ' O ' ' CG ' ' A' ' 47' ' ' LEU . . . -63.18 148.52 47.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.494 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.825 ' CG ' ' O ' ' A' ' 46' ' ' ALA . 1.5 pp . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.549 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.444 ' OD2' ' OG ' ' A' ' 55' ' ' SER . 52.8 p-10 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.89 0.376 . . . . 0.0 110.515 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -82.03 -4.0 55.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.594 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.444 ' OG ' ' OD2' ' A' ' 53' ' ' ASP . 78.2 p -56.29 -40.23 73.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.568 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 75.5 p -81.36 -33.72 32.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.486 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.0 mmmt -51.08 -54.44 24.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.543 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 29.9 ttpt -60.2 -47.37 86.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.594 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.31 -26.3 68.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.576 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.3 t -71.39 -35.4 71.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.546 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 75.5 mt-10 -63.76 -31.72 72.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.543 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 91.8 m -64.32 -37.78 88.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.496 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 10.5 mp -75.33 -24.75 57.44 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.515 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -84.35 -36.58 22.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.483 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.437 ' O ' ' OE2' ' A' ' 69' ' ' GLU . 99.8 mtt180 -68.55 -44.44 74.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.593 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 18.2 tt -76.47 -35.08 25.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.588 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.425 ' O ' ' CB ' ' A' ' 71' ' ' ASP . . . -60.98 -45.37 96.74 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.445 ' OD1' ' O ' ' A' ' 68' ' ' ASP . 68.4 t0 -62.74 -34.38 77.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.796 0.331 . . . . 0.0 110.61 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.552 ' OE1' ' N ' ' A' ' 69' ' ' GLU . 0.3 OUTLIER -79.62 -58.38 3.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.613 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 5.2 mt -55.14 -43.13 73.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.61 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.425 ' CB ' ' O ' ' A' ' 67' ' ' GLY . 38.9 t70 -65.01 -8.77 17.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.55 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.9 t -96.36 6.99 47.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.531 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -92.91 111.42 23.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.638 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 94.4 mmm -68.27 -11.17 58.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.563 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -80.39 -67.28 0.78 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.583 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 50.0 tp -59.81 -40.32 87.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.583 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 49.5 tt0 -61.71 -37.96 86.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.644 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 74.9 ttt180 -68.44 -44.94 73.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.576 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 74.2 mtp -54.55 -43.89 72.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.621 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.518 ' O ' HG12 ' A' ' 83' ' ' VAL . 86.3 mt -62.39 -23.67 32.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.559 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -86.13 -18.55 32.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.557 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -86.53 -15.42 40.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.576 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.614 ' O ' ' CG1' ' A' ' 83' ' ' VAL . 8.0 p -89.4 82.71 2.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.527 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.424 ' O ' ' O ' ' A' ' 83' ' ' VAL . 54.3 p-10 -40.67 162.41 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.503 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 48.5 p -119.6 119.89 35.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.644 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -148.98 -0.01 0.52 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.439 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.435 ' O ' HG11 ' A' ' 91' ' ' VAL . 41.5 t -175.81 88.32 0.29 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.501 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.489 ' O ' ' CB ' ' A' ' 92' ' ' PHE . 37.5 Cg_endo -69.13 -15.14 39.19 Favored 'Trans proline' 0 C--N 1.305 -1.735 0 C-N-CA 122.721 2.28 . . . . 0.0 112.128 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 16.4 ptt-85 -86.59 -33.88 20.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.524 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -79.68 -57.28 3.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.47 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.467 ' CG1' ' N ' ' A' ' 92' ' ' PHE . 9.1 p -57.76 -51.01 75.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.523 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.489 ' CB ' ' O ' ' A' ' 88' ' ' PRO . 85.6 t80 -46.29 -51.98 13.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.463 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -68.02 -30.54 69.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.439 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 16.0 tpp180 -71.49 -57.96 3.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.553 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.444 ' CG2' ' N ' ' A' ' 96' ' ' ALA . 27.7 m -59.37 -48.1 88.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.491 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.444 ' N ' ' CG2' ' A' ' 95' ' ' VAL . . . -55.08 -27.74 47.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.487 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -81.79 -39.02 24.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.53 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 99' ' ' MET . 99.4 m-20 -63.05 -38.64 91.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.596 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' MET . . . . . 0.409 ' C ' ' O ' ' A' ' 98' ' ' ASP . 65.2 mtt -38.42 -68.86 0.14 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.599 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.612 ' CD2' ' O ' ' A' ' 100' ' ' PHE . 19.7 p90 -111.31 57.59 0.63 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.603 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.1 t -74.65 -26.79 60.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.641 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . 0.536 ' O ' ' C ' ' A' ' 103' ' ' GLY . 55.3 p-10 -155.64 -18.31 0.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.572 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.536 ' C ' ' O ' ' A' ' 102' ' ' ASP . . . -26.38 -80.7 0.01 OUTLIER Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . 0.608 ' O ' ' CG ' ' A' ' 105' ' ' PHE . 9.9 m-20 174.52 34.3 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.755 0.312 . . . . 0.0 110.592 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.608 ' CG ' ' O ' ' A' ' 104' ' ' ASN . 30.6 p90 42.66 29.13 0.15 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.543 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . 0.535 ' CG ' ' H ' ' A' ' 107' ' ' TRP . 26.7 p30 -52.1 -110.54 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.557 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' TRP . . . . . 0.535 ' H ' ' CG ' ' A' ' 106' ' ' ASN . 6.5 t90 174.65 -26.13 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.512 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . 0.44 ' O ' HG13 ' A' ' 111' ' ' VAL . . . -50.07 -42.21 39.33 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . 0.472 ' H ' ' HG3' ' A' ' 109' ' ' ARG . 0.0 OUTLIER -48.12 -26.1 1.73 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.74 0.305 . . . . 0.0 110.533 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.468 HG23 ' NE1' ' A' ' 107' ' ' TRP . 34.7 t -52.49 -57.95 3.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.55 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.556 ' CG1' ' N ' ' A' ' 112' ' ' ALA . 4.7 p -45.23 -46.75 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.596 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.556 ' N ' ' CG1' ' A' ' 111' ' ' VAL . . . -58.17 -34.89 70.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.519 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 1.9 tt -57.0 -46.95 81.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.522 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -57.1 -44.07 82.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.619 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 92.0 t80 -67.86 -43.79 78.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.503 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 93.4 t80 -58.99 -41.79 88.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.541 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -70.95 -32.68 69.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.48 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 5.2 t -48.56 -44.43 36.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.524 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.811 ' O ' ' CB ' ' A' ' 123' ' ' LYS . 55.1 mmtt -59.68 -43.66 93.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.524 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 52.6 mt -68.15 -31.36 70.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.518 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 75.6 t -77.13 -53.36 14.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.511 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 70.0 mt -72.84 -41.19 65.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.576 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.811 ' CB ' ' O ' ' A' ' 119' ' ' LYS . 43.1 tptt -57.98 -41.55 83.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.551 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.498 ' O ' ' OG1' ' A' ' 127' ' ' THR . . . -75.05 -22.0 58.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.595 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 6.3 tt -63.0 -32.42 73.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.564 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 34.3 t -83.16 -35.64 25.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.638 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' THR . . . . . 0.763 ' O ' ' HB2' ' A' ' 128' ' ' LYS . 54.8 p -53.67 -18.8 3.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.588 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . 0.763 ' HB2' ' O ' ' A' ' 127' ' ' THR . 61.3 mttp 87.39 44.8 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.574 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 48.5 t -147.91 89.54 5.28 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.534 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -71.38 -15.02 31.3 Favored 'Trans proline' 0 C--N 1.305 -1.734 0 C-N-CA 122.69 2.26 . . . . 0.0 112.028 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . 0.519 ' O ' HG23 ' A' ' 135' ' ' THR . 80.9 tt0 -64.46 -39.38 93.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.502 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.509 ' HA ' ' OG1' ' A' ' 135' ' ' THR . 2.2 tp -62.94 -32.27 73.54 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.527 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 97.5 mt -58.88 -49.46 82.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.472 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . 0.434 HH21 ' HB1' ' A' ' 46' ' ' ALA . 88.8 mtt180 -69.34 -34.81 75.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.558 179.815 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' THR . . . . . 0.519 HG23 ' O ' ' A' ' 131' ' ' GLU . 67.0 p -67.06 -32.05 72.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.451 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . 0.404 ' N ' ' HG1' ' A' ' 135' ' ' THR . 48.0 mt -69.57 -59.03 3.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.53 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' MET . . . . . 0.429 ' O ' ' OG1' ' A' ' 140' ' ' THR . 85.2 mtp -46.38 -25.39 0.64 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.549 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -68.74 -40.48 85.29 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' TRP . . . . . 0.559 ' CD1' ' N ' ' A' ' 139' ' ' TRP . 9.1 m0 -66.35 -24.43 66.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.758 0.313 . . . . 0.0 110.533 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' THR . . . . . 0.469 ' OG1' ' N ' ' A' ' 141' ' ' LEU . 22.9 p -75.49 -65.89 0.84 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.593 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . 0.469 ' N ' ' OG1' ' A' ' 140' ' ' THR . 54.5 mt -51.81 -33.63 36.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.514 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -65.65 -51.1 62.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.589 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . 0.457 ' O ' ' HB2' ' A' ' 147' ' ' ARG . 38.6 t80 -66.8 -38.94 87.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.505 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 2.2 tp -71.03 -35.53 72.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.577 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 58.6 ttp180 -83.02 -10.64 58.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.583 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -112.06 -4.59 14.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.528 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . 1.152 ' O ' ' N ' ' A' ' 149' ' ' LEU . 23.1 mmt180 -142.16 -110.81 0.13 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.556 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . 0.695 ' O ' ' N ' ' A' ' 152' ' ' ILE . 1.0 OUTLIER -15.5 -27.79 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.536 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . 1.152 ' N ' ' O ' ' A' ' 147' ' ' ARG . 52.6 tp -49.04 -56.4 9.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.545 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -63.8 -50.66 59.69 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 151' ' ' TRP . . . . . . . . . . . . . 98.8 m95 -66.21 -55.91 13.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.805 0.336 . . . . 0.0 110.579 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 152' ' ' ILE . . . . . 0.695 ' N ' ' O ' ' A' ' 148' ' ' LEU . 10.2 tt -51.33 -34.24 14.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.605 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -67.5 -31.1 70.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.59 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 154' ' ' ASP . . . . . 0.458 ' OD1' ' O ' ' A' ' 154' ' ' ASP . 53.5 t0 -89.28 -4.6 58.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.539 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -97.48 0.82 48.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.544 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 83.71 24.78 48.62 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 89.73 -160.35 28.78 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . 49.2 m95 -73.91 -5.69 42.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.839 0.352 . . . . 0.0 110.563 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -60.81 -42.47 97.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.556 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -54.46 -32.18 52.32 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.871 -0.892 . . . . 0.0 110.871 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 1.9 tt -62.95 -54.04 44.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.783 0.325 . . . . 0.0 110.56 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 62.2 tp -66.98 -31.2 71.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.562 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 5.6 t -66.62 -26.47 67.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.597 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 164' ' ' TYR . . . . . 0.421 ' C ' ' H ' ' A' ' 166' ' ' GLY . 93.5 t80 -76.32 -42.83 43.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.547 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -71.69 47.93 0.14 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.573 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 166' ' ' GLY . . . . . 0.421 ' H ' ' C ' ' A' ' 164' ' ' TYR . . . -130.71 39.0 1.85 Allowed Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 167' ' ' THR . . . . . 1.084 ' OG1' ' HD2' ' A' ' 168' ' ' PRO . 0.6 OUTLIER -108.45 -178.86 0.61 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 120.855 0.36 . . . . 0.0 110.602 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 168' ' ' PRO . . . . . 1.084 ' HD2' ' OG1' ' A' ' 167' ' ' THR . 56.9 Cg_endo -74.75 -146.35 0.03 OUTLIER 'Trans proline' 0 C--N 1.305 -1.718 0 C-N-CA 122.846 2.364 . . . . 0.0 112.102 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 169' ' ' THR . . . . . 0.597 ' C ' ' O ' ' A' ' 168' ' ' PRO . 29.4 p -22.12 100.49 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.567 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 170' ' ' TRP . . . . . 0.618 ' O ' HG23 ' A' ' 173' ' ' VAL . 29.9 p90 -64.32 -18.63 64.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.628 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 171' ' ' GLN . . . . . 0.529 ' NE2' ' OG1' ' A' ' 172' ' ' THR . 5.3 pp0? -47.14 -14.15 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.549 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 172' ' ' THR . . . . . 0.529 ' OG1' ' NE2' ' A' ' 171' ' ' GLN . 5.0 m -87.02 -29.52 21.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.508 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 173' ' ' VAL . . . . . 0.618 HG23 ' O ' ' A' ' 170' ' ' TRP . 2.0 m -72.07 -45.66 62.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.572 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 174' ' ' THR . . . . . 0.567 ' N ' ' CG2' ' A' ' 173' ' ' VAL . 25.2 m -64.63 -24.86 67.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.53 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 175' ' ' ILE . . . . . 0.415 ' O ' ' CG2' ' A' ' 175' ' ' ILE . 90.5 mt -85.78 -7.53 10.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.528 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 176' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -94.67 -60.05 1.79 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.554 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 3.1 m -62.14 -16.76 16.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.59 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 178' ' ' ALA . . . . . 0.633 ' O ' ' OG1' ' A' ' 182' ' ' THR . . . -95.45 -45.97 6.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.556 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -62.28 -26.2 67.54 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 180' ' ' VAL . . . . . 0.519 ' CG1' ' N ' ' A' ' 181' ' ' LEU . 13.7 p -86.21 -51.78 12.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.81 0.338 . . . . 0.0 110.496 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 181' ' ' LEU . . . . . 0.519 ' N ' ' CG1' ' A' ' 180' ' ' VAL . 42.1 tp -69.27 -47.96 63.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.599 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 182' ' ' THR . . . . . 0.633 ' OG1' ' O ' ' A' ' 178' ' ' ALA . 25.6 m -50.57 -51.33 49.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.562 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -47.41 -45.65 25.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.594 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 184' ' ' SER . . . . . . . . . . . . . 29.7 t -54.43 -37.91 65.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.542 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 59.8 mt -77.62 -21.77 51.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.539 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 20.7 m -73.23 -44.86 58.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.563 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 187' ' ' ILE . . . . . 0.504 ' O ' ' C ' ' A' ' 188' ' ' TRP . 12.6 tt -73.71 -51.56 24.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.561 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 188' ' ' TRP . . . . . 0.504 ' C ' ' O ' ' A' ' 187' ' ' ILE . 0.2 OUTLIER -30.74 -56.98 0.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.552 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 8.0 mmtt -175.71 128.28 0.24 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.617 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 190' ' ' LYS . . . . . . . . . . . . . 14.2 ptmt -109.95 89.54 3.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.557 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 191' ' ' MET . . . . . . . . . . . . . 92.3 mtp -128.54 136.59 50.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.583 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.717 0 CA-C-O 117.981 -1.455 . . . . 0.0 110.93 -179.98 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 1.058 ' O ' HD11 ' A' ' 19' ' ' ILE . 53.1 p . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.744 0.307 . . . . 0.0 110.563 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 30.9 m -95.35 -18.51 20.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.602 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -90.94 -50.24 5.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.629 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.5 tm0? -55.12 -34.07 63.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.705 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 1.058 HD11 ' O ' ' A' ' 15' ' ' SER . 63.6 mt -73.76 -51.49 24.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.798 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 47.7 ttp -57.58 -35.49 70.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.739 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -69.04 -42.05 76.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.718 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 30.1 m -74.22 -14.63 60.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.68 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -73.97 -54.08 6.67 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.59 -11.26 59.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.778 0.323 . . . . 0.0 110.635 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.528 ' O ' ' C ' ' A' ' 26' ' ' LEU . 2.2 mm? -86.1 -78.03 0.29 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.598 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.528 ' C ' ' O ' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -29.5 -64.34 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.567 -179.948 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.408 ' O ' HG13 ' A' ' 31' ' ' ILE . 11.0 mp -52.6 -56.37 15.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.61 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.59 HE22 ' HB3' ' A' ' 45' ' ' LEU . 34.8 tp60 -48.81 -18.04 0.24 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.66 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.527 ' O ' ' N ' ' A' ' 31' ' ' ILE . . . -88.59 -72.27 1.27 Allowed Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 42.9 t80 -42.59 -18.85 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.804 0.335 . . . . 0.0 110.604 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.527 ' N ' ' O ' ' A' ' 29' ' ' GLY . 90.3 mt -77.05 -68.83 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.611 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.538 ' CD ' HE21 ' A' ' 28' ' ' GLN . 15.7 pt20 -79.05 29.76 0.21 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.593 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.449 ' H ' ' C ' ' A' ' 31' ' ' ILE . 65.8 t0 -112.78 -50.98 2.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.582 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 15.7 ptm180 -91.32 -26.95 18.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.577 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -99.05 -13.15 19.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.533 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.6 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 -179.976 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 N--CA 1.49 1.308 0 CA-C-O 120.827 0.261 . . . . 0.0 112.12 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.689 ' OE1' ' N ' ' A' ' 44' ' ' GLU . 54.9 mp0 -70.12 -20.42 63.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.593 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.613 ' H ' ' CD2' ' A' ' 45' ' ' LEU . 0.4 OUTLIER -86.56 64.51 8.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.603 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -78.34 137.39 38.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.555 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.1 tp . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.539 -179.988 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 49.0 t0 . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.774 0.321 . . . . 0.0 110.615 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -83.44 -3.32 57.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.616 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 77.8 p -56.76 -39.94 74.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.563 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 45.9 p -81.05 -33.8 33.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.616 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.422 ' NZ ' ' OE2' ' A' ' 61' ' ' GLU . 4.5 tmtt? -50.75 -54.61 21.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.631 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 30.8 ttpt -60.16 -47.51 85.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.563 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.15 -26.33 68.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.553 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.3 t -71.33 -35.46 71.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.554 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.422 ' OE2' ' NZ ' ' A' ' 57' ' ' LYS . 97.2 mt-10 -63.67 -31.88 73.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.515 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 99.4 m -64.24 -37.81 88.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.601 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.415 ' N ' ' CD1' ' A' ' 63' ' ' LEU . 9.7 mp -75.19 -24.81 57.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.602 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -84.19 -36.7 22.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.56 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.438 ' O ' ' OE2' ' A' ' 69' ' ' GLU . 99.7 mtt180 -68.49 -44.49 74.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.54 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 20.5 tt -76.44 -35.01 25.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.636 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.425 ' O ' ' CB ' ' A' ' 71' ' ' ASP . . . -61.09 -45.43 96.59 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -62.73 -34.29 76.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.79 0.329 . . . . 0.0 110.591 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.527 ' OE1' ' N ' ' A' ' 69' ' ' GLU . 0.3 OUTLIER -79.64 -58.46 3.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.574 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.18 -43.07 74.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.557 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.529 ' OD1' ' NE2' ' A' ' 77' ' ' GLN . 38.8 t70 -65.09 -8.67 17.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.633 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.9 t -96.44 7.07 47.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.615 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -93.0 111.47 23.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.576 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 78.8 mtm -68.31 -11.22 59.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.524 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -80.35 -67.26 0.78 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.607 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 7.5 tp -59.91 -40.24 88.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.52 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.529 ' NE2' ' OD1' ' A' ' 71' ' ' ASP . 15.7 mm100 -61.83 -37.9 86.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.532 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 75.2 ttt180 -68.52 -44.94 73.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.561 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 73.9 mtp -54.48 -43.95 72.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.594 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.518 ' O ' HG12 ' A' ' 83' ' ' VAL . 81.4 mt -62.36 -23.78 33.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.538 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -85.88 -18.84 31.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.596 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -86.43 -15.41 40.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.59 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.612 ' O ' ' CG1' ' A' ' 83' ' ' VAL . 8.0 p -89.38 82.18 2.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.571 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.437 ' O ' ' O ' ' A' ' 83' ' ' VAL . 99.1 m-20 -40.05 162.51 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.561 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.418 HG21 ' NZ ' ' A' ' 123' ' ' LYS . 77.5 p -119.72 119.31 33.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.603 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 60.9 m-20 -148.2 0.02 0.6 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.531 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.418 ' O ' HG11 ' A' ' 91' ' ' VAL . 45.4 t -176.11 88.92 0.28 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.464 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.48 ' O ' ' CB ' ' A' ' 92' ' ' PHE . 38.1 Cg_endo -69.62 -14.42 36.51 Favored 'Trans proline' 0 C--N 1.305 -1.762 0 C-N-CA 122.82 2.347 . . . . 0.0 112.13 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 33.8 ptt-85 -86.63 -34.83 19.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.564 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -79.15 -57.8 3.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.554 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.48 ' CG1' ' N ' ' A' ' 92' ' ' PHE . 10.0 p -56.72 -51.35 67.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.556 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.48 ' CB ' ' O ' ' A' ' 88' ' ' PRO . 84.7 t80 -46.3 -52.04 13.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.543 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -68.14 -30.19 69.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.502 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.632 ' NE ' ' HE1' ' A' ' 188' ' ' TRP . 23.9 ttp180 -71.73 -57.65 4.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.471 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.445 ' CG2' ' N ' ' A' ' 96' ' ' ALA . 27.8 m -59.76 -48.09 88.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.554 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.445 ' N ' ' CG2' ' A' ' 95' ' ' VAL . . . -55.01 -27.75 46.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.569 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -81.82 -38.87 24.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.501 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 99' ' ' MET . 99.7 m-20 -63.19 -38.62 91.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.574 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' MET . . . . . 0.505 ' HB2' HH21 ' A' ' 109' ' ' ARG . 63.6 mtt -38.44 -68.89 0.14 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.559 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.605 ' CD2' ' O ' ' A' ' 100' ' ' PHE . 17.9 p90 -111.22 57.51 0.62 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.632 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.1 t -74.59 -26.85 60.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.595 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . 0.53 ' O ' ' C ' ' A' ' 103' ' ' GLY . 55.1 p-10 -155.63 -18.34 0.11 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.569 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.53 ' C ' ' O ' ' A' ' 102' ' ' ASP . . . -26.4 -80.6 0.01 OUTLIER Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . 0.606 ' O ' ' CG ' ' A' ' 105' ' ' PHE . 8.8 m-20 174.47 34.39 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.766 0.317 . . . . 0.0 110.579 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.606 ' CG ' ' O ' ' A' ' 104' ' ' ASN . 29.8 p90 42.69 29.0 0.14 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.5 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . 0.544 ' CG ' ' H ' ' A' ' 107' ' ' TRP . 28.0 p30 -52.09 -110.52 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.593 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' TRP . . . . . 0.544 ' H ' ' CG ' ' A' ' 106' ' ' ASN . 6.7 t90 174.7 -26.18 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.474 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . 0.434 ' O ' HG13 ' A' ' 111' ' ' VAL . . . -50.19 -41.99 39.92 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . 0.505 HH21 ' HB2' ' A' ' 99' ' ' MET . 0.0 OUTLIER -48.13 -26.22 1.78 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.772 0.32 . . . . 0.0 110.575 179.945 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.483 HG23 ' NE1' ' A' ' 107' ' ' TRP . 36.1 t -52.5 -57.85 3.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.544 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.554 ' CG1' ' N ' ' A' ' 112' ' ' ALA . 4.6 p -45.32 -46.72 3.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.511 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.554 ' N ' ' CG1' ' A' ' 111' ' ' VAL . . . -58.0 -35.34 71.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.563 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.0 tt -56.65 -46.84 80.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.564 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . 0.446 ' CZ ' ' CG1' ' A' ' 110' ' ' VAL . 9.8 m-85 -57.09 -44.18 82.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.549 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 93.3 t80 -67.99 -43.75 78.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.538 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 93.1 t80 -58.8 -42.03 88.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.573 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -70.84 -32.66 69.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.504 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 4.7 t -48.48 -44.62 35.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.557 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.82 ' O ' ' CB ' ' A' ' 123' ' ' LYS . 30.4 mmtm -59.53 -43.72 93.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.493 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 52.8 mt -67.98 -31.62 71.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.57 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.416 ' O ' ' CD1' ' A' ' 133' ' ' ILE . 49.2 t -76.77 -53.54 14.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.603 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 71.1 mt -72.91 -40.89 65.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.574 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.82 ' CB ' ' O ' ' A' ' 119' ' ' LYS . 88.7 tttt -58.07 -41.12 82.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.557 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -75.61 -22.12 57.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.594 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 54.2 tp -62.83 -32.41 73.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.523 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' CYS . . . . . 0.477 ' SG ' ' N ' ' A' ' 127' ' ' THR . 13.1 p -83.14 -35.45 25.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.594 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' THR . . . . . 0.762 ' O ' ' HB2' ' A' ' 128' ' ' LYS . 55.8 m -53.57 -18.76 3.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.516 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . 0.762 ' HB2' ' O ' ' A' ' 127' ' ' THR . 42.2 mtmt 87.63 43.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.6 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 17.6 m -147.28 90.97 5.18 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.61 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -72.66 -14.46 27.27 Favored 'Trans proline' 0 C--N 1.305 -1.717 0 C-N-CA 122.788 2.325 . . . . 0.0 112.004 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -65.06 -39.87 93.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.496 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 2.1 tp -62.23 -32.52 73.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.577 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . 0.425 HD13 HG22 ' A' ' 133' ' ' ILE . 22.1 mm -58.8 -49.32 83.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.493 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 63.3 ttm-85 -69.57 -34.65 74.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.427 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 7.8 m -67.26 -31.77 72.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.52 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 45.5 mt -69.9 -58.67 4.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.524 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' MET . . . . . 0.433 ' O ' ' OG1' ' A' ' 140' ' ' THR . 65.2 ttp -46.64 -25.41 0.71 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.484 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -68.75 -40.47 85.25 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' TRP . . . . . 0.507 ' CD1' ' N ' ' A' ' 139' ' ' TRP . 12.6 m0 -66.3 -24.42 66.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.767 0.317 . . . . 0.0 110.564 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' THR . . . . . 0.468 ' OG1' ' N ' ' A' ' 141' ' ' LEU . 24.1 p -75.52 -65.81 0.85 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.574 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . 0.468 ' N ' ' OG1' ' A' ' 140' ' ' THR . 57.3 mt -51.8 -33.58 36.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.594 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -65.69 -51.13 61.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.564 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . 0.45 ' O ' ' HB2' ' A' ' 147' ' ' ARG . 5.9 t80 -66.8 -38.89 87.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.586 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 1.8 tp -71.04 -35.55 72.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.557 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 59.2 ttp180 -83.06 -10.67 58.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.593 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -111.96 -4.7 14.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.577 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . 1.152 ' O ' ' N ' ' A' ' 149' ' ' LEU . 11.4 mtp180 -142.02 -110.84 0.13 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.588 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . 0.696 ' O ' ' N ' ' A' ' 152' ' ' ILE . 1.0 OUTLIER -15.45 -27.72 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.504 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . 1.152 ' N ' ' O ' ' A' ' 147' ' ' ARG . 33.8 tp -49.13 -56.33 9.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.521 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -63.9 -50.68 59.32 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 151' ' ' TRP . . . . . . . . . . . . . 99.1 m95 -66.16 -55.94 13.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.859 0.361 . . . . 0.0 110.56 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 152' ' ' ILE . . . . . 0.696 ' N ' ' O ' ' A' ' 148' ' ' LEU . 10.5 tt -51.32 -34.36 14.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.546 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . 0.408 ' N ' HG22 ' A' ' 152' ' ' ILE . 12.3 tm0? -67.42 -31.18 71.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.619 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -89.11 -4.64 58.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.58 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -97.48 0.9 48.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.551 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 83.69 24.72 48.94 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 89.77 -160.34 28.72 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 158' ' ' TRP . . . . . 0.426 ' HE1' HG21 ' A' ' 19' ' ' ILE . 33.4 m95 -73.93 -5.69 42.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.767 0.318 . . . . 0.0 110.56 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -60.84 -42.44 97.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.606 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -54.36 -32.32 51.74 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.876 -0.89 . . . . 0.0 110.876 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 2.1 tt -62.87 -54.03 44.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.824 0.345 . . . . 0.0 110.579 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 49.1 tp -67.0 -31.14 71.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.581 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 5.2 t -66.63 -26.69 67.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.517 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 164' ' ' TYR . . . . . 0.422 ' C ' ' H ' ' A' ' 166' ' ' GLY . 94.3 t80 -76.07 -42.86 46.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.631 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -71.62 47.89 0.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.617 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 166' ' ' GLY . . . . . 0.422 ' H ' ' C ' ' A' ' 164' ' ' TYR . . . -130.65 38.9 1.87 Allowed Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 167' ' ' THR . . . . . 1.103 ' OG1' ' HD2' ' A' ' 168' ' ' PRO . 0.6 OUTLIER -108.53 -178.38 0.56 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 120.912 0.387 . . . . 0.0 110.569 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 168' ' ' PRO . . . . . 1.103 ' HD2' ' OG1' ' A' ' 167' ' ' THR . 57.2 Cg_endo -75.34 -147.01 0.03 OUTLIER 'Trans proline' 0 C--N 1.305 -1.759 0 C-N-CA 122.827 2.352 . . . . 0.0 112.082 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 169' ' ' THR . . . . . 0.602 ' C ' ' O ' ' A' ' 168' ' ' PRO . 20.1 p -21.35 100.23 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.552 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 170' ' ' TRP . . . . . 0.61 ' O ' HG23 ' A' ' 173' ' ' VAL . 34.0 p90 -64.18 -18.56 64.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.572 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 171' ' ' GLN . . . . . 0.551 ' NE2' ' OG1' ' A' ' 172' ' ' THR . 5.5 pp0? -47.21 -14.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.556 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 172' ' ' THR . . . . . 0.551 ' OG1' ' NE2' ' A' ' 171' ' ' GLN . 5.4 m -87.11 -29.56 21.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.5 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 173' ' ' VAL . . . . . 0.61 HG23 ' O ' ' A' ' 170' ' ' TRP . 1.9 m -72.07 -45.65 62.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.561 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 174' ' ' THR . . . . . 0.566 ' N ' ' CG2' ' A' ' 173' ' ' VAL . 24.9 m -64.56 -25.02 67.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.546 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 175' ' ' ILE . . . . . 0.426 HG23 ' O ' ' A' ' 172' ' ' THR . 1.7 tt -85.66 -7.59 10.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.575 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 176' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -94.61 -60.01 1.8 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.611 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 3.1 m -62.13 -16.75 16.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.536 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 178' ' ' ALA . . . . . 0.63 ' O ' ' OG1' ' A' ' 182' ' ' THR . . . -95.55 -45.91 6.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.578 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -62.27 -26.22 67.54 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 180' ' ' VAL . . . . . 0.522 ' CG1' ' N ' ' A' ' 181' ' ' LEU . 13.6 p -86.25 -51.72 12.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.829 0.347 . . . . 0.0 110.577 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 181' ' ' LEU . . . . . 0.522 ' N ' ' CG1' ' A' ' 180' ' ' VAL . 42.0 tp -69.31 -47.9 63.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.666 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 182' ' ' THR . . . . . 0.63 ' OG1' ' O ' ' A' ' 178' ' ' ALA . 26.1 m -50.54 -51.41 48.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.584 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -47.3 -45.71 24.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.602 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 184' ' ' SER . . . . . . . . . . . . . 27.4 t -54.5 -37.82 65.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.592 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 62.4 mt -77.65 -21.69 51.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.587 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 20.4 m -73.28 -44.89 58.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.53 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 187' ' ' ILE . . . . . 0.506 ' O ' ' C ' ' A' ' 188' ' ' TRP . 12.4 tt -73.72 -51.57 24.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.57 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 188' ' ' TRP . . . . . 0.632 ' HE1' ' NE ' ' A' ' 94' ' ' ARG . 8.0 t90 -30.67 -56.91 0.21 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.594 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 7.5 mmtt -175.77 128.25 0.24 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.572 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 190' ' ' LYS . . . . . . . . . . . . . 14.6 ptmt -109.92 89.55 3.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.577 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 191' ' ' MET . . . . . . . . . . . . . 82.5 mtp -128.58 136.64 50.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.577 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.789 0 CA-C-O 117.989 -1.451 . . . . 0.0 110.913 -179.958 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.41 ' HG ' ' H ' ' A' ' 17' ' ' GLU . 90.5 p . . . . . 0 CA--C 1.526 0.041 0 CA-C-O 120.839 0.352 . . . . 0.0 110.561 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.8 m -89.79 -10.25 46.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.513 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.41 ' H ' ' HG ' ' A' ' 15' ' ' SER . 66.1 mm-40 -73.23 -44.91 58.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.615 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.572 HE22 ' CG2' ' A' ' 22' ' ' THR . 2.1 tm0? -73.01 -21.23 60.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.563 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.472 HG23 ' HE1' ' A' ' 158' ' ' TRP . 30.3 mt -83.38 -56.95 4.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.439 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.448 ' SD ' ' C ' ' A' ' 20' ' ' MET . 2.1 tmt? -51.38 -37.02 45.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.597 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -67.19 -46.41 74.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.571 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.572 ' CG2' HE22 ' A' ' 18' ' ' GLN . 41.7 p -72.01 -6.84 45.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.587 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -80.77 -53.92 3.84 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.29 -9.23 59.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.804 0.335 . . . . 0.0 110.537 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.553 ' O ' ' C ' ' A' ' 26' ' ' LEU . 6.4 tt -86.67 -81.04 0.23 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.587 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.553 ' C ' ' O ' ' A' ' 25' ' ' LEU . 67.8 mt -26.36 -66.05 0.06 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.563 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.975 ' O ' HG13 ' A' ' 31' ' ' ILE . 3.8 tp -51.13 -58.08 7.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.512 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.423 ' O ' ' OE1' ' A' ' 28' ' ' GLN . 7.3 tp-100 -47.25 -17.91 0.08 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.527 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.546 ' O ' ' N ' ' A' ' 31' ' ' ILE . . . -88.77 -72.86 1.28 Allowed Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -42.08 -18.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.803 0.335 . . . . 0.0 110.631 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.975 HG13 ' O ' ' A' ' 27' ' ' LEU . 57.6 mt -76.93 -69.35 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.552 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.599 ' CB ' HD11 ' A' ' 45' ' ' LEU . 27.4 tt0 -78.69 29.62 0.2 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.588 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.455 ' H ' ' C ' ' A' ' 31' ' ' ILE . 66.5 t0 -112.43 -51.52 2.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.599 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 -90.65 -27.5 18.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.516 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -98.08 -13.78 20.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.567 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.43 ' O ' ' O ' ' A' ' 32' ' ' GLN . . . . . . . . 0 CA--C 1.524 0.651 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.596 ' HB3' ' NE2' ' A' ' 32' ' ' GLN . 50.2 Cg_exo . . . . . 0 N--CA 1.492 1.393 0 CA-C-O 120.805 0.252 . . . . 0.0 112.079 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 56.3 mp0 -94.86 -13.92 25.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.533 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.599 HD11 ' CB ' ' A' ' 32' ' ' GLN . 45.1 mt -99.02 62.22 1.28 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.564 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.501 ' O ' ' HB2' ' A' ' 47' ' ' LEU . . . -71.65 136.92 47.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.619 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.501 ' HB2' ' O ' ' A' ' 46' ' ' ALA . 1.6 tp . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.566 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.785 0.326 . . . . 0.0 110.621 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -83.26 -3.1 57.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.627 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 91.2 p -59.17 -39.58 82.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.551 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 17.9 p -81.72 -33.78 30.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.604 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 64.1 mmtt -50.27 -54.84 18.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.565 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 30.8 ttpt -59.84 -47.84 84.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.599 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.9 -26.35 68.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.548 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.5 t -71.28 -35.37 71.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.597 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -63.82 -31.74 73.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.616 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 95.4 m -64.3 -37.88 89.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.569 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.461 ' CD1' ' N ' ' A' ' 63' ' ' LEU . 8.3 mp -75.24 -24.57 57.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.645 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -84.33 -36.67 22.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.502 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.437 ' O ' ' OE2' ' A' ' 69' ' ' GLU . 99.7 mtt180 -68.62 -44.4 74.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.551 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 20.4 tt -76.54 -35.01 25.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.548 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.428 ' O ' ' CB ' ' A' ' 71' ' ' ASP . . . -61.03 -45.43 96.61 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -62.72 -34.26 76.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.717 0.294 . . . . 0.0 110.558 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.541 ' OE1' ' N ' ' A' ' 69' ' ' GLU . 0.3 OUTLIER -79.74 -58.48 3.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.487 -179.93 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.21 -43.05 74.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.518 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.428 ' CB ' ' O ' ' A' ' 67' ' ' GLY . 53.0 t0 -65.05 -8.69 17.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.589 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.7 t -96.45 7.06 47.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.567 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -92.97 111.5 23.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.54 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 3.9 mmt -68.38 -11.19 59.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.498 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -80.29 -67.34 0.78 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.553 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 7.1 tp -59.85 -40.25 87.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.608 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.579 HE22 ' NZ ' ' A' ' 119' ' ' LYS . 20.5 mm100 -61.73 -38.05 86.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.532 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 72.3 ttt180 -68.4 -44.98 73.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.573 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 74.1 mtp -54.53 -43.95 72.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.549 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.515 ' O ' HG12 ' A' ' 83' ' ' VAL . 86.0 mt -62.31 -23.74 32.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.627 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -85.94 -18.71 31.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.55 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -86.45 -15.56 39.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.53 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.619 ' O ' ' CG1' ' A' ' 83' ' ' VAL . 7.6 p -89.38 83.05 2.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.63 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 53.8 p-10 -41.52 161.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.427 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 75.4 p -119.05 121.13 39.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.581 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -149.89 0.06 0.46 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.426 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.4 ' O ' HG11 ' A' ' 91' ' ' VAL . 35.4 t -175.88 85.63 0.29 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.477 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.51 ' O ' ' CB ' ' A' ' 92' ' ' PHE . 29.5 Cg_endo -66.14 -16.55 52.48 Favored 'Trans proline' 0 C--N 1.305 -1.727 0 C-N-CA 122.793 2.329 . . . . 0.0 112.07 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 34.4 ptt-85 -84.61 -36.74 21.83 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.464 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -76.68 -58.98 2.97 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.511 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.49 ' CG1' ' N ' ' A' ' 92' ' ' PHE . 10.3 p -55.79 -52.1 52.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.565 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.51 ' CB ' ' O ' ' A' ' 88' ' ' PRO . 85.2 t80 -45.38 -52.99 9.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.478 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -67.15 -30.85 70.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.509 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 16.1 tpp180 -71.1 -58.18 3.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.556 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.449 ' CG2' ' N ' ' A' ' 96' ' ' ALA . 27.9 m -59.17 -48.18 87.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.575 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.449 ' N ' ' CG2' ' A' ' 95' ' ' VAL . . . -54.92 -27.73 45.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.51 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -81.95 -38.86 24.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.558 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 99' ' ' MET . 99.8 m-20 -63.14 -38.65 92.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.572 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' MET . . . . . 0.488 ' HB2' HH21 ' A' ' 109' ' ' ARG . 64.1 mtt -38.24 -69.07 0.13 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.522 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.608 ' CD2' ' O ' ' A' ' 100' ' ' PHE . 17.3 p90 -111.2 57.67 0.62 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.585 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.3 t -74.74 -26.85 60.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.626 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . 0.552 ' O ' ' C ' ' A' ' 103' ' ' GLY . 55.3 p-10 -155.6 -18.27 0.11 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.547 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.552 ' C ' ' O ' ' A' ' 102' ' ' ASP . . . -26.41 -80.68 0.01 OUTLIER Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . 0.607 ' O ' ' CG ' ' A' ' 105' ' ' PHE . 8.3 m-20 174.55 34.35 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.831 0.348 . . . . 0.0 110.584 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.607 ' CG ' ' O ' ' A' ' 104' ' ' ASN . 27.8 p90 42.61 29.15 0.15 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.574 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . 0.552 ' CG ' ' H ' ' A' ' 107' ' ' TRP . 28.7 p30 -52.11 -110.47 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.54 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' TRP . . . . . 0.552 ' H ' ' CG ' ' A' ' 106' ' ' ASN . 6.5 t90 174.57 -26.19 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.522 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . 0.441 ' O ' HG13 ' A' ' 111' ' ' VAL . . . -50.18 -42.02 39.92 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . 0.488 HH21 ' HB2' ' A' ' 99' ' ' MET . 0.0 OUTLIER -48.16 -26.01 1.72 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.808 0.337 . . . . 0.0 110.534 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.474 ' N ' ' HD3' ' A' ' 109' ' ' ARG . 33.8 t -52.67 -57.9 3.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.53 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.552 ' CG1' ' N ' ' A' ' 112' ' ' ALA . 4.7 p -45.25 -46.83 3.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.54 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.552 ' N ' ' CG1' ' A' ' 111' ' ' VAL . . . -58.12 -34.93 70.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.534 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 1.9 tt -56.97 -46.62 82.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.558 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . 0.44 ' CZ ' ' CG1' ' A' ' 110' ' ' VAL . 10.2 m-85 -57.41 -43.96 84.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.484 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 88.1 t80 -68.18 -43.39 78.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.528 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 92.5 t80 -59.12 -41.88 89.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.559 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -71.09 -32.42 69.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.525 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 4.9 t -48.72 -44.03 37.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.534 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.819 ' O ' ' CB ' ' A' ' 123' ' ' LYS . 60.3 mmtt -60.25 -43.51 96.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.54 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 52.6 mt -68.26 -30.69 69.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.523 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.404 ' O ' ' CD1' ' A' ' 133' ' ' ILE . 49.0 t -77.59 -53.54 14.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.538 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 69.3 mt -72.99 -40.69 65.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.558 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.819 ' CB ' ' O ' ' A' ' 119' ' ' LYS . 65.3 tttm -58.19 -40.93 82.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.595 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.456 ' O ' ' OG1' ' A' ' 127' ' ' THR . . . -76.28 -20.43 57.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.575 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 40.6 tp -64.62 -30.37 71.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.548 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' CYS . . . . . 0.499 ' SG ' ' N ' ' A' ' 127' ' ' THR . 6.3 p -84.71 -35.73 22.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.547 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' THR . . . . . 0.556 ' O ' ' CB ' ' A' ' 128' ' ' LYS . 40.3 p -54.64 -17.11 2.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.487 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . 0.556 ' CB ' ' O ' ' A' ' 127' ' ' THR . 73.7 tttt 85.07 47.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.57 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . 0.535 ' CG2' ' OG1' ' A' ' 127' ' ' THR . 0.2 OUTLIER -148.8 85.97 5.91 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.53 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo -68.22 -15.73 43.11 Favored 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 122.85 2.366 . . . . 0.0 112.021 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -63.38 -42.49 98.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.469 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 8.6 mp -59.67 -34.23 72.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.492 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . 0.404 ' CD1' ' O ' ' A' ' 121' ' ' VAL . 21.2 mm -56.88 -50.23 76.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.518 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 -69.07 -34.9 75.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.483 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 8.2 m -67.14 -31.96 72.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.504 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 46.4 mt -69.68 -58.88 4.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.545 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 84.0 mtp -46.4 -25.65 0.69 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.532 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -68.57 -40.47 86.12 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' TRP . . . . . 0.512 ' CD1' ' N ' ' A' ' 139' ' ' TRP . 12.9 m0 -66.31 -24.5 66.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.844 0.355 . . . . 0.0 110.563 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' THR . . . . . 0.499 ' OG1' ' N ' ' A' ' 141' ' ' LEU . 16.1 p -75.48 -65.73 0.86 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.568 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . 0.499 ' N ' ' OG1' ' A' ' 140' ' ' THR . 55.1 mt -51.88 -33.64 37.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.513 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -65.75 -50.98 62.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.58 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . 0.496 ' O ' ' HB2' ' A' ' 147' ' ' ARG . 37.1 t80 -66.92 -38.84 86.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.549 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.04 -35.54 72.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.555 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 59.0 ttp180 -82.98 -10.68 58.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.561 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -112.07 -4.6 14.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.58 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . 1.154 ' O ' ' N ' ' A' ' 149' ' ' LEU . 8.0 mtp180 -142.18 -110.89 0.13 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.64 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . 0.698 ' O ' ' N ' ' A' ' 152' ' ' ILE . 1.0 OUTLIER -15.35 -27.75 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.542 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . 1.154 ' N ' ' O ' ' A' ' 147' ' ' ARG . 40.2 tp -49.2 -56.3 9.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.529 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -63.83 -50.63 59.82 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 151' ' ' TRP . . . . . . . . . . . . . 99.5 m95 -66.24 -55.91 13.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.819 0.342 . . . . 0.0 110.578 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 152' ' ' ILE . . . . . 0.698 ' N ' ' O ' ' A' ' 148' ' ' LEU . 9.1 tt -51.28 -34.29 14.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.494 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 56.8 tt0 -67.53 -31.12 71.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.537 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -89.23 -4.57 58.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.57 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -97.49 0.74 48.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.58 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 83.75 24.57 49.21 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 89.9 -160.4 28.61 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 158' ' ' TRP . . . . . 0.472 ' HE1' HG23 ' A' ' 19' ' ' ILE . 58.5 m95 -73.87 -5.65 42.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.76 0.314 . . . . 0.0 110.52 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -60.88 -42.5 98.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.544 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -54.49 -31.99 52.35 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 2.0 tt -63.04 -53.97 45.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.847 0.356 . . . . 0.0 110.546 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 52.3 tp -67.26 -30.96 70.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.487 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 21.3 t -66.99 -25.91 66.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.602 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 164' ' ' TYR . . . . . 0.419 ' C ' ' H ' ' A' ' 166' ' ' GLY . 91.8 t80 -77.05 -42.45 38.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.627 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -71.65 48.28 0.15 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.502 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 166' ' ' GLY . . . . . 0.419 ' H ' ' C ' ' A' ' 164' ' ' TYR . . . -131.53 39.61 1.75 Allowed Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 167' ' ' THR . . . . . 0.97 ' OG1' ' HD2' ' A' ' 168' ' ' PRO . 0.6 OUTLIER -108.91 177.88 1.16 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 120.86 0.362 . . . . 0.0 110.602 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 168' ' ' PRO . . . . . 0.97 ' HD2' ' OG1' ' A' ' 167' ' ' THR . 38.6 Cg_endo -70.31 -145.08 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.738 0 C-N-CA 122.815 2.343 . . . . 0.0 112.066 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 169' ' ' THR . . . . . 0.58 ' C ' ' O ' ' A' ' 168' ' ' PRO . 19.1 p -24.47 103.0 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.57 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 170' ' ' TRP . . . . . 0.621 ' O ' HG23 ' A' ' 173' ' ' VAL . 33.5 p90 -65.88 -18.45 65.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.594 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 171' ' ' GLN . . . . . 0.528 ' NE2' ' OG1' ' A' ' 172' ' ' THR . 5.4 pp0? -47.2 -14.41 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.498 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 172' ' ' THR . . . . . 0.528 ' OG1' ' NE2' ' A' ' 171' ' ' GLN . 4.9 m -86.64 -29.5 22.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.595 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 173' ' ' VAL . . . . . 0.621 HG23 ' O ' ' A' ' 170' ' ' TRP . 2.0 m -72.12 -45.66 61.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.58 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 174' ' ' THR . . . . . 0.564 ' N ' ' CG2' ' A' ' 173' ' ' VAL . 25.1 m -64.59 -24.89 67.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.578 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 175' ' ' ILE . . . . . 0.417 ' O ' ' CG2' ' A' ' 175' ' ' ILE . 89.3 mt -85.84 -7.41 10.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.537 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 176' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -94.72 -60.02 1.79 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.549 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 3.2 m -62.13 -16.7 16.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.532 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 178' ' ' ALA . . . . . 0.637 ' O ' ' OG1' ' A' ' 182' ' ' THR . . . -95.58 -45.9 6.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.546 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -62.34 -26.09 67.53 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 180' ' ' VAL . . . . . 0.52 ' CG1' ' N ' ' A' ' 181' ' ' LEU . 13.6 p -86.24 -51.79 12.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.756 0.312 . . . . 0.0 110.554 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 181' ' ' LEU . . . . . 0.52 ' N ' ' CG1' ' A' ' 180' ' ' VAL . 43.4 tp -69.27 -47.95 63.14 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.598 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 182' ' ' THR . . . . . 0.637 ' OG1' ' O ' ' A' ' 178' ' ' ALA . 25.3 m -50.55 -51.31 49.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.592 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -47.39 -45.74 25.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.58 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 184' ' ' SER . . . . . . . . . . . . . 27.8 t -54.38 -37.9 65.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.617 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 62.9 mt -77.62 -21.66 51.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.589 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 21.7 m -73.31 -44.82 58.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.598 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 187' ' ' ILE . . . . . 0.508 ' O ' ' C ' ' A' ' 188' ' ' TRP . 12.3 tt -73.67 -51.66 24.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.605 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 188' ' ' TRP . . . . . 0.508 ' C ' ' O ' ' A' ' 187' ' ' ILE . 0.1 OUTLIER -30.67 -56.99 0.21 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.619 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 8.2 mmtt -175.72 128.37 0.24 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.543 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 190' ' ' LYS . . . . . . . . . . . . . 14.7 ptmt -109.97 89.52 3.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.539 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 191' ' ' MET . . . . . . . . . . . . . 84.6 mtp -128.58 136.61 50.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.524 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.707 0 CA-C-O 117.987 -1.452 . . . . 0.0 110.926 179.972 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 1.156 ' O ' HD11 ' A' ' 19' ' ' ILE . 4.2 p . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.886 0.374 . . . . 0.0 110.517 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.418 ' H ' ' HB2' ' A' ' 15' ' ' SER . 45.9 m -96.3 -10.95 26.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.578 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -88.43 -49.56 6.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.588 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -65.78 -23.69 66.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.582 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 1.156 HD11 ' O ' ' A' ' 15' ' ' SER . 84.6 mt -81.35 -54.79 9.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.625 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.451 ' SD ' ' C ' ' A' ' 20' ' ' MET . 13.4 tmm? -53.58 -36.61 62.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.614 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.3 tppt? -67.19 -46.37 74.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.586 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 40.5 m -72.05 -8.07 52.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.557 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -79.45 -53.93 4.19 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.44 -9.25 59.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.818 0.342 . . . . 0.0 110.491 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.553 ' O ' ' C ' ' A' ' 26' ' ' LEU . 6.6 tt -86.63 -80.92 0.23 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.538 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.553 ' C ' ' O ' ' A' ' 25' ' ' LEU . 48.6 tp -26.57 -66.07 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.567 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.426 ' O ' HG13 ' A' ' 31' ' ' ILE . 5.7 tp -51.04 -57.99 7.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.618 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 9.5 tm0? -47.35 -17.9 0.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.544 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.542 ' O ' ' N ' ' A' ' 31' ' ' ILE . . . -88.83 -72.87 1.28 Allowed Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.876 -0.889 . . . . 0.0 110.876 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -42.08 -18.8 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.795 0.331 . . . . 0.0 110.573 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.542 ' N ' ' O ' ' A' ' 29' ' ' GLY . 96.9 mt -77.04 -69.15 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.609 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.411 ' CD ' ' O ' ' A' ' 32' ' ' GLN . 4.9 pp0? -78.88 29.95 0.2 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.584 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.449 ' H ' ' C ' ' A' ' 31' ' ' ILE . 65.3 t0 -112.89 -51.11 2.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.554 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -91.23 -27.03 18.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.548 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.409 ' O ' ' C ' ' A' ' 36' ' ' GLY . . . -99.0 -13.14 20.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.598 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 35' ' ' ALA . . . . . . . . 0 CA--C 1.525 0.683 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo . . . . . 0 N--CA 1.492 1.388 0 CA-C-O 120.805 0.252 . . . . 0.0 112.115 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.422 ' OE1' ' N ' ' A' ' 44' ' ' GLU . 54.4 mp0 -94.1 -11.78 29.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.606 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.624 HD21 ' O ' ' A' ' 45' ' ' LEU . 0.7 OUTLIER -98.31 61.7 1.45 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.58 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.43 ' O ' ' HB2' ' A' ' 47' ' ' LEU . . . -70.32 138.08 51.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.578 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.43 ' HB2' ' O ' ' A' ' 46' ' ' ALA . 22.6 tp . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.556 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.783 0.325 . . . . 0.0 110.638 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -82.61 -0.66 48.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.574 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 40.9 t -60.68 -39.41 88.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.561 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 27.7 p -82.78 -33.79 27.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.577 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 56.6 tttp -49.9 -54.98 16.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.572 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 6.0 tppt? -59.61 -48.16 82.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.63 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.57 -26.25 67.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.608 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.6 t -71.41 -35.36 70.97 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.6 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -63.94 -31.66 72.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.629 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 93.8 m -64.28 -37.81 88.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.595 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.425 ' CD1' ' N ' ' A' ' 63' ' ' LEU . 9.0 mp -75.33 -24.62 57.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.552 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 63.2 tttp -84.27 -36.67 22.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.585 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.453 ' O ' ' OE1' ' A' ' 69' ' ' GLU . 95.0 mtt180 -68.53 -44.42 74.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.57 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 18.9 tt -76.5 -35.12 25.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.545 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.424 ' O ' ' CB ' ' A' ' 71' ' ' ASP . . . -60.93 -45.41 96.61 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.444 ' OD1' ' O ' ' A' ' 68' ' ' ASP . 68.2 t0 -62.73 -34.36 77.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.792 0.329 . . . . 0.0 110.592 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.543 ' OE1' ' N ' ' A' ' 69' ' ' GLU . 3.0 mp0 -79.57 -58.55 3.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.567 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 2.1 mt -55.1 -43.07 73.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.632 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.424 ' CB ' ' O ' ' A' ' 67' ' ' GLY . 38.9 t70 -65.03 -8.73 17.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.58 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.4 t -96.45 7.07 47.41 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.532 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -93.0 111.54 23.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.617 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 97.8 mmm -68.44 -11.09 59.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.523 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -80.43 -67.21 0.79 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.558 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 49.5 tp -59.87 -40.26 88.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.576 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 11.1 tm0? -61.74 -37.97 86.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.613 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 71.7 ttt180 -68.44 -44.94 73.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.582 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 74.3 mtp -54.59 -43.93 72.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.525 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.514 ' O ' HG12 ' A' ' 83' ' ' VAL . 84.6 mt -62.34 -23.73 32.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.648 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -85.97 -18.77 31.69 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.572 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -86.44 -15.23 40.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.63 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.614 ' O ' ' CG1' ' A' ' 83' ' ' VAL . 7.9 p -89.64 82.76 2.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.62 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.404 ' O ' ' O ' ' A' ' 83' ' ' VAL . 53.9 p-10 -40.97 162.09 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.607 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 70.0 p -119.26 120.5 37.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.598 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -149.3 -0.18 0.49 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.537 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.416 ' O ' HG11 ' A' ' 91' ' ' VAL . 44.5 t -175.68 86.86 0.29 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.512 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.574 ' O ' ' HB2' ' A' ' 92' ' ' PHE . 33.3 Cg_endo -67.38 -16.23 47.37 Favored 'Trans proline' 0 C--N 1.305 -1.734 0 C-N-CA 122.782 2.321 . . . . 0.0 112.028 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 21.0 ptt180 -85.53 -35.33 21.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.449 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -77.91 -57.88 3.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.5 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.475 ' CG1' ' N ' ' A' ' 92' ' ' PHE . 10.0 p -57.3 -51.24 71.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.509 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.574 ' HB2' ' O ' ' A' ' 88' ' ' PRO . 26.3 t80 -45.93 -52.52 11.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.55 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -67.62 -30.66 70.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.516 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 16.2 tpp180 -71.18 -58.12 3.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.541 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.446 ' CG2' ' N ' ' A' ' 96' ' ' ALA . 27.2 m -59.29 -48.04 88.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.564 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.446 ' N ' ' CG2' ' A' ' 95' ' ' VAL . . . -54.99 -27.8 46.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.562 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -81.79 -38.93 24.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.575 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.41 ' O ' ' C ' ' A' ' 99' ' ' MET . 99.2 m-20 -63.22 -38.74 92.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.447 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' MET . . . . . 0.41 ' C ' ' O ' ' A' ' 98' ' ' ASP . 64.8 mtt -38.37 -68.84 0.14 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.527 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.579 ' CE1' ' NH2' ' A' ' 109' ' ' ARG . 14.3 p90 -111.3 57.53 0.63 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.598 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.1 t -74.65 -26.84 60.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.585 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . 0.538 ' O ' ' C ' ' A' ' 103' ' ' GLY . 54.9 p-10 -155.58 -18.38 0.11 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.589 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.538 ' C ' ' O ' ' A' ' 102' ' ' ASP . . . -26.34 -80.71 0.01 OUTLIER Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . 0.608 ' O ' ' CG ' ' A' ' 105' ' ' PHE . 9.3 m-20 174.5 34.37 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.791 0.329 . . . . 0.0 110.604 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.608 ' CG ' ' O ' ' A' ' 104' ' ' ASN . 32.3 p90 42.62 29.23 0.15 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.509 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . 0.536 ' CG ' ' H ' ' A' ' 107' ' ' TRP . 27.8 p30 -52.23 -110.41 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.606 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' TRP . . . . . 0.536 ' H ' ' CG ' ' A' ' 106' ' ' ASN . 6.8 t90 174.58 -26.19 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.543 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . 0.44 ' O ' HG13 ' A' ' 111' ' ' VAL . . . -50.01 -42.34 39.05 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . 0.579 ' NH2' ' CE1' ' A' ' 100' ' ' PHE . 0.0 OUTLIER -48.01 -26.09 1.65 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.888 0.375 . . . . 0.0 110.607 -179.946 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.453 HG23 ' NE1' ' A' ' 107' ' ' TRP . 29.1 t -52.49 -57.96 3.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.539 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.559 ' CG1' ' N ' ' A' ' 112' ' ' ALA . 4.8 p -45.31 -46.75 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.509 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.559 ' N ' ' CG1' ' A' ' 111' ' ' VAL . . . -58.23 -34.71 70.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.56 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.0 tt -57.07 -46.8 82.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.576 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -57.32 -44.04 83.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.46 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 91.9 t80 -67.87 -43.58 79.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.577 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 91.8 t80 -59.14 -41.76 89.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.564 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -71.05 -32.52 69.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.529 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 4.9 t -48.62 -44.19 37.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.581 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.812 ' O ' ' CB ' ' A' ' 123' ' ' LYS . 55.0 mmtt -59.95 -43.58 94.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.616 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 50.8 mt -68.23 -31.01 70.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.512 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.409 ' O ' ' CD1' ' A' ' 133' ' ' ILE . 48.9 t -77.45 -53.42 14.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.488 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 70.5 mt -72.76 -41.1 65.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.567 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.812 ' CB ' ' O ' ' A' ' 119' ' ' LYS . 46.1 tptt -58.06 -41.4 83.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.521 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.502 ' O ' ' OG1' ' A' ' 127' ' ' THR . . . -75.26 -21.78 58.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.499 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 49.0 tp -63.4 -32.09 73.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.56 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' CYS . . . . . 0.588 ' SG ' ' O ' ' A' ' 123' ' ' LYS . 0.1 OUTLIER -83.37 -35.58 25.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.594 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' THR . . . . . 0.757 ' O ' ' HB2' ' A' ' 128' ' ' LYS . 45.4 p -53.72 -19.42 4.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.533 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . 0.757 ' HB2' ' O ' ' A' ' 127' ' ' THR . 51.8 mttp 87.72 45.37 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.538 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . 0.558 ' CG2' ' OG1' ' A' ' 127' ' ' THR . 0.0 OUTLIER -148.22 87.92 5.58 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.511 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -69.81 -14.6 36.15 Favored 'Trans proline' 0 C--N 1.306 -1.707 0 C-N-CA 122.719 2.279 . . . . 0.0 112.043 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -64.17 -41.77 96.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.421 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 8.5 mp -60.42 -34.37 73.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.447 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . 0.422 HD13 HG23 ' A' ' 133' ' ' ILE . 21.9 mm -56.63 -50.21 74.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.55 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 84.2 mtp180 -69.09 -34.89 75.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.522 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 7.9 m -67.15 -32.01 72.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.449 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 46.8 mt -69.78 -58.87 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.465 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' MET . . . . . 0.429 ' O ' ' OG1' ' A' ' 140' ' ' THR . 42.1 ttm -46.45 -25.41 0.66 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.534 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -68.75 -40.43 85.3 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' TRP . . . . . 0.505 ' CD1' ' N ' ' A' ' 139' ' ' TRP . 12.7 m0 -66.37 -24.45 66.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.813 0.339 . . . . 0.0 110.531 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' THR . . . . . 0.469 ' OG1' ' N ' ' A' ' 141' ' ' LEU . 23.2 p -75.53 -65.84 0.85 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.56 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . 0.469 ' N ' ' OG1' ' A' ' 140' ' ' THR . 52.5 mt -51.74 -33.64 35.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.594 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -65.69 -51.05 62.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.607 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -66.8 -38.85 87.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.57 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 2.0 tp -71.18 -35.43 71.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.552 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 58.9 ttp180 -82.98 -10.69 58.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.561 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -112.07 -4.63 14.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.548 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . 1.153 ' O ' ' N ' ' A' ' 149' ' ' LEU . 42.7 mtp180 -142.14 -110.8 0.13 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.535 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . 0.695 ' O ' ' N ' ' A' ' 152' ' ' ILE . 1.0 OUTLIER -15.52 -27.68 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.602 -179.953 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . 1.153 ' N ' ' O ' ' A' ' 147' ' ' ARG . 47.1 tp -49.03 -56.4 9.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.565 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -63.8 -50.75 59.1 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 151' ' ' TRP . . . . . . . . . . . . . 59.7 m95 -66.2 -55.85 14.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.758 0.313 . . . . 0.0 110.548 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 152' ' ' ILE . . . . . 0.695 ' N ' ' O ' ' A' ' 148' ' ' LEU . 10.7 tt -51.37 -34.27 14.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.564 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 46.2 tt0 -67.51 -31.16 71.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.609 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -89.2 -4.44 58.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.538 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -97.57 0.83 48.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.586 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 83.67 24.72 49.01 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 89.82 -160.32 28.65 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . 53.8 m95 -73.98 -5.64 42.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.795 0.331 . . . . 0.0 110.569 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -60.88 -42.5 98.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.532 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -54.39 -32.16 51.83 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 2.6 tt -63.02 -53.94 46.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.804 0.335 . . . . 0.0 110.587 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 56.6 tp -67.09 -31.07 71.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.575 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 5.1 t -66.87 -26.2 66.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.496 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 164' ' ' TYR . . . . . 0.422 ' C ' ' H ' ' A' ' 166' ' ' GLY . 89.9 t80 -76.7 -42.65 40.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.589 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -71.63 48.05 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.559 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 166' ' ' GLY . . . . . 0.422 ' H ' ' C ' ' A' ' 164' ' ' TYR . . . -130.96 39.03 1.84 Allowed Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 167' ' ' THR . . . . . 1.007 ' OG1' ' HD2' ' A' ' 168' ' ' PRO . 0.5 OUTLIER -108.39 179.24 0.89 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 120.899 0.38 . . . . 0.0 110.521 -179.938 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 168' ' ' PRO . . . . . 1.007 ' HD2' ' OG1' ' A' ' 167' ' ' THR . 46.5 Cg_endo -72.29 -145.73 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.719 0 C-N-CA 122.781 2.32 . . . . 0.0 112.054 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 169' ' ' THR . . . . . 0.588 ' C ' ' O ' ' A' ' 168' ' ' PRO . 25.7 p -23.38 101.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.605 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 170' ' ' TRP . . . . . 0.614 ' O ' HG23 ' A' ' 173' ' ' VAL . 29.0 p90 -64.9 -18.78 65.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.596 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 171' ' ' GLN . . . . . 0.54 ' NE2' ' OG1' ' A' ' 172' ' ' THR . 5.4 pp0? -46.83 -14.11 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.582 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 172' ' ' THR . . . . . 0.54 ' OG1' ' NE2' ' A' ' 171' ' ' GLN . 97.9 m -87.03 -29.62 21.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.617 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 173' ' ' VAL . . . . . 0.614 HG23 ' O ' ' A' ' 170' ' ' TRP . 2.0 m -72.07 -45.61 62.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.567 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 174' ' ' THR . . . . . 0.567 ' N ' ' CG2' ' A' ' 173' ' ' VAL . 24.4 m -64.57 -24.91 67.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.576 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 175' ' ' ILE . . . . . 0.43 HG23 ' O ' ' A' ' 172' ' ' THR . 1.8 tt -85.8 -7.42 10.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.536 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 176' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -94.68 -60.13 1.77 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.568 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 3.3 m -62.05 -16.73 16.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.576 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 178' ' ' ALA . . . . . 0.628 ' O ' ' OG1' ' A' ' 182' ' ' THR . . . -95.55 -45.9 6.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.614 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -62.39 -26.06 67.57 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 180' ' ' VAL . . . . . 0.519 ' CG1' ' N ' ' A' ' 181' ' ' LEU . 13.9 p -86.31 -51.73 12.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.811 0.338 . . . . 0.0 110.556 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 181' ' ' LEU . . . . . 0.519 ' N ' ' CG1' ' A' ' 180' ' ' VAL . 43.1 tp -69.32 -47.94 62.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.569 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 182' ' ' THR . . . . . 0.628 ' OG1' ' O ' ' A' ' 178' ' ' ALA . 26.1 m -50.58 -51.33 49.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.572 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -47.38 -45.72 25.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.574 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 184' ' ' SER . . . . . . . . . . . . . 27.5 t -54.4 -37.85 65.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.644 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 64.5 mt -77.7 -21.69 51.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.527 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 21.3 m -73.26 -44.86 58.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.567 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 187' ' ' ILE . . . . . 0.502 ' O ' ' C ' ' A' ' 188' ' ' TRP . 12.5 tt -73.63 -51.7 23.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.572 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 188' ' ' TRP . . . . . 0.502 ' C ' ' O ' ' A' ' 187' ' ' ILE . 0.2 OUTLIER -30.74 -56.99 0.21 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.472 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 8.0 mmtt -175.72 128.28 0.24 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.551 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 190' ' ' LYS . . . . . . . . . . . . . 14.5 ptmt -109.87 89.61 3.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.598 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 191' ' ' MET . . . . . . . . . . . . . 84.1 mtp -128.71 136.58 50.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.547 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.813 0 CA-C-O 118.007 -1.441 . . . . 0.0 110.922 -179.969 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 1.09 ' O ' HD11 ' A' ' 19' ' ' ILE . 3.0 p . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.789 0.328 . . . . 0.0 110.391 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.484 ' H ' ' HB2' ' A' ' 15' ' ' SER . 50.6 m -98.69 -17.28 18.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.435 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 64.2 mm-40 -77.67 -48.62 16.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.54 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -67.43 -22.58 65.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.567 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 1.09 HD11 ' O ' ' A' ' 15' ' ' SER . 64.5 mt -81.99 -54.76 9.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.614 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 26.5 ttt -53.88 -36.52 62.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.576 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 38.4 mmtm -67.31 -45.96 74.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.53 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 66.7 p -72.36 -8.35 54.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.585 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -79.17 -54.1 4.21 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.19 -9.35 59.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.836 0.351 . . . . 0.0 110.536 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.547 ' O ' ' C ' ' A' ' 26' ' ' LEU . 31.6 mt -86.71 -80.45 0.24 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.62 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.547 ' C ' ' O ' ' A' ' 25' ' ' LEU . 44.9 tp -27.11 -65.62 0.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.642 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.415 ' C ' ' N ' ' A' ' 29' ' ' GLY . 64.0 mt -51.32 -57.7 8.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.617 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.408 ' O ' ' NE2' ' A' ' 28' ' ' GLN . 6.4 tm0? -47.65 -17.95 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.557 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.542 ' O ' ' N ' ' A' ' 31' ' ' ILE . . . -88.77 -72.65 1.28 Allowed Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 41.4 t80 -42.28 -18.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.809 0.338 . . . . 0.0 110.571 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.542 ' N ' ' O ' ' A' ' 29' ' ' GLY . 70.7 mt -77.06 -69.13 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.575 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 41.1 tt0 -78.94 30.0 0.2 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.595 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.451 ' H ' ' C ' ' A' ' 31' ' ' ILE . 97.8 m-20 -112.92 -51.05 2.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.606 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 15.7 ptm180 -91.17 -27.02 18.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.62 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -99.22 -12.88 20.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.559 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.722 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -179.975 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo . . . . . 0 N--CA 1.49 1.321 0 CA-C-O 120.717 0.216 . . . . 0.0 112.092 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -93.03 -8.66 42.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.616 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.43 ' O ' HD13 ' A' ' 45' ' ' LEU . 0.2 OUTLIER -107.19 66.19 0.67 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.638 179.95 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -74.27 137.97 43.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.579 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 22.7 tp . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.608 -179.974 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 43.2 p-10 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.804 0.335 . . . . 0.0 110.546 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -81.39 -0.95 43.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.542 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 68.8 m -61.38 -39.85 92.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.543 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 73.7 p -83.37 -33.8 25.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.529 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 64.4 tttp -49.87 -54.73 17.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.594 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 29.9 ttpt -59.81 -48.07 83.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.601 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.6 -26.13 67.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.601 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.5 t -71.57 -35.24 70.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.529 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.466 ' CD ' ' NH2' ' A' ' 65' ' ' ARG . 43.6 tt0 -64.18 -31.49 72.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.566 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 99.7 m -64.42 -37.76 88.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.548 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.417 ' CD1' ' N ' ' A' ' 63' ' ' LEU . 9.6 mp -75.47 -24.54 56.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.543 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -84.31 -36.58 22.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.637 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.466 ' NH2' ' CD ' ' A' ' 61' ' ' GLU . 99.4 mtt180 -68.54 -44.56 74.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.528 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 20.5 tt -76.37 -35.11 26.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.544 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.425 ' O ' ' CB ' ' A' ' 71' ' ' ASP . . . -61.03 -45.46 96.56 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -62.68 -34.32 76.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.84 0.352 . . . . 0.0 110.601 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 50.6 tp10 -79.64 -58.49 3.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.557 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.21 -43.0 74.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.526 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.425 ' CB ' ' O ' ' A' ' 67' ' ' GLY . 54.7 t0 -65.09 -8.77 18.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.56 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 7.4 t -96.41 7.13 47.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.525 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -92.96 111.48 23.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.566 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 96.8 mmm -68.37 -11.1 59.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.592 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -80.36 -67.28 0.78 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.571 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.6 tp -59.82 -40.37 88.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.523 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 8.3 tm0? -61.74 -37.92 86.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.588 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 72.4 ttt180 -68.57 -44.9 73.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.548 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 64.0 mtp -54.49 -43.91 72.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.584 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.517 ' O ' HG12 ' A' ' 83' ' ' VAL . 86.2 mt -62.35 -23.72 32.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.598 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -85.95 -18.81 31.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.627 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -86.37 -15.46 40.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.62 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.612 ' O ' ' CG1' ' A' ' 83' ' ' VAL . 8.1 p -89.34 82.75 2.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.583 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.423 ' O ' ' O ' ' A' ' 83' ' ' VAL . 56.5 p-10 -40.58 162.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.513 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 75.0 p -119.64 120.01 35.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.659 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -148.95 -0.22 0.52 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.488 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.423 ' O ' HG11 ' A' ' 91' ' ' VAL . 40.4 t -175.82 88.25 0.29 Allowed Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.458 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.5 ' O ' ' CB ' ' A' ' 92' ' ' PHE . 36.7 Cg_endo -68.79 -15.64 40.87 Favored 'Trans proline' 0 C--N 1.306 -1.684 0 C-N-CA 122.793 2.328 . . . . 0.0 112.092 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 15.0 ptt-85 -86.0 -34.19 20.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.551 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -79.3 -57.44 3.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.602 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.473 ' CG1' ' N ' ' A' ' 92' ' ' PHE . 9.7 p -57.51 -51.19 72.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.527 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.5 ' CB ' ' O ' ' A' ' 88' ' ' PRO . 85.3 t80 -46.17 -52.16 12.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.479 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -67.84 -30.47 69.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.6 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 16.2 tpp180 -71.46 -57.97 3.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.581 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.445 ' CG2' ' N ' ' A' ' 96' ' ' ALA . 27.5 m -59.34 -48.07 88.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.534 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.445 ' N ' ' CG2' ' A' ' 95' ' ' VAL . . . -55.15 -27.65 47.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.522 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -81.85 -38.92 24.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.561 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 99' ' ' MET . 99.5 m-20 -63.17 -38.68 92.13 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.53 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' MET . . . . . 0.522 ' HB2' HH21 ' A' ' 109' ' ' ARG . 64.2 mtt -38.42 -68.79 0.14 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.605 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.601 ' CD2' ' O ' ' A' ' 100' ' ' PHE . 16.8 p90 -111.37 57.6 0.63 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.535 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.1 t -74.7 -26.86 60.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.557 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . 0.532 ' O ' ' C ' ' A' ' 103' ' ' GLY . 55.1 p-10 -155.57 -18.39 0.11 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.533 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.532 ' C ' ' O ' ' A' ' 102' ' ' ASP . . . -26.32 -80.65 0.01 OUTLIER Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . 0.608 ' O ' ' CG ' ' A' ' 105' ' ' PHE . 10.9 m-20 174.5 34.38 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.785 0.326 . . . . 0.0 110.514 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.608 ' CG ' ' O ' ' A' ' 104' ' ' ASN . 31.8 p90 42.64 29.07 0.14 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.564 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . 0.542 ' CG ' ' H ' ' A' ' 107' ' ' TRP . 28.4 p30 -52.12 -110.44 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.615 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' TRP . . . . . 0.542 ' H ' ' CG ' ' A' ' 106' ' ' ASN . 6.5 t90 174.64 -26.2 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.549 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . 0.44 ' O ' HG13 ' A' ' 111' ' ' VAL . . . -50.11 -42.07 39.4 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . 0.522 HH21 ' HB2' ' A' ' 99' ' ' MET . 0.0 OUTLIER -48.24 -26.04 1.79 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.756 0.312 . . . . 0.0 110.511 -179.947 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.475 HG23 ' NE1' ' A' ' 107' ' ' TRP . 36.0 t -52.52 -57.94 3.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.536 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.552 ' CG1' ' N ' ' A' ' 112' ' ' ALA . 4.8 p -45.29 -46.66 3.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.577 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.552 ' N ' ' CG1' ' A' ' 111' ' ' VAL . . . -58.11 -35.18 71.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.514 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.0 tt -56.86 -46.7 81.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.566 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . 0.45 ' CZ ' ' CG1' ' A' ' 110' ' ' VAL . 9.9 m-85 -57.17 -44.1 83.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.529 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 92.9 t80 -68.07 -43.62 78.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.534 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 93.2 t80 -59.05 -41.81 88.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.541 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -71.04 -32.5 69.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.52 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 5.6 t -48.64 -44.27 37.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.56 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.808 ' O ' ' CB ' ' A' ' 123' ' ' LYS . 56.4 mmtt -59.85 -43.68 94.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.566 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 52.2 mt -68.19 -30.95 70.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.582 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.409 ' O ' ' CD1' ' A' ' 133' ' ' ILE . 54.0 t -77.43 -53.14 15.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.638 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 74.0 mt -73.25 -40.81 64.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.517 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.808 ' CB ' ' O ' ' A' ' 119' ' ' LYS . 14.5 tmtt? -58.22 -41.16 83.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.543 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -75.71 -20.81 58.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.607 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 5.0 tp -64.15 -30.87 71.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.583 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' CYS . . . . . 0.467 ' SG ' ' N ' ' A' ' 127' ' ' THR . 14.6 p -84.22 -35.96 23.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.616 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' THR . . . . . 0.551 ' O ' ' CB ' ' A' ' 128' ' ' LYS . 52.3 m -54.26 -16.19 2.0 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.564 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . 0.551 ' CB ' ' O ' ' A' ' 127' ' ' THR . 44.1 tttp 84.46 46.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.555 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 15.5 m -148.18 88.7 5.38 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.58 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -71.17 -14.48 31.68 Favored 'Trans proline' 0 C--N 1.304 -1.769 0 C-N-CA 122.793 2.329 . . . . 0.0 112.048 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -64.59 -41.02 96.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.533 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 9.2 mp -61.08 -33.99 74.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.528 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . 0.431 HD11 HG23 ' A' ' 133' ' ' ILE . 21.4 mm -56.99 -49.98 77.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.48 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 82.6 mtp180 -69.33 -34.68 74.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.493 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 7.2 m -67.34 -31.96 72.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.453 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 46.6 mt -69.71 -58.7 4.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.571 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' MET . . . . . 0.419 ' O ' ' OG1' ' A' ' 140' ' ' THR . 28.5 mmt -46.62 -25.53 0.73 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.493 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -68.61 -40.5 85.87 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' TRP . . . . . 0.519 ' CD1' ' N ' ' A' ' 139' ' ' TRP . 11.3 m0 -66.31 -24.53 66.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.791 0.329 . . . . 0.0 110.478 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' THR . . . . . 0.478 ' OG1' ' N ' ' A' ' 141' ' ' LEU . 20.4 p -75.48 -65.84 0.85 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.556 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . 0.478 ' N ' ' OG1' ' A' ' 140' ' ' THR . 52.9 mt -51.78 -33.58 35.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.561 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -65.81 -51.02 62.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.532 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . 0.443 ' O ' ' HB2' ' A' ' 147' ' ' ARG . 5.6 t80 -66.8 -38.93 87.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.57 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 1.7 tp -71.01 -35.6 72.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.532 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 58.8 ttp180 -82.96 -10.63 58.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.593 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 69.2 mm-40 -112.05 -4.59 14.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.602 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . 1.152 ' O ' ' N ' ' A' ' 149' ' ' LEU . 11.9 mtp180 -142.19 -110.89 0.13 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.576 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . 0.697 ' O ' ' N ' ' A' ' 152' ' ' ILE . 1.0 OUTLIER -15.44 -27.74 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.553 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . 1.152 ' N ' ' O ' ' A' ' 147' ' ' ARG . 1.1 tt -49.14 -56.23 9.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.539 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -63.92 -50.52 60.4 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 151' ' ' TRP . . . . . . . . . . . . . 99.2 m95 -66.47 -55.68 14.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.785 0.326 . . . . 0.0 110.552 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 152' ' ' ILE . . . . . 0.697 ' N ' ' O ' ' A' ' 148' ' ' LEU . 10.3 tt -51.41 -34.31 15.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.538 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . 0.419 ' CD ' ' CD2' ' A' ' 149' ' ' LEU . 6.9 mt-30 -67.42 -31.4 71.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.591 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -88.81 -4.7 58.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.62 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -97.46 0.84 48.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.581 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 83.56 24.72 49.48 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 89.88 -160.4 28.64 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.816 -0.914 . . . . 0.0 110.816 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 158' ' ' TRP . . . . . 0.418 ' HE1' HG23 ' A' ' 19' ' ' ILE . 39.4 m95 -73.95 -5.59 42.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.888 0.375 . . . . 0.0 110.651 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 67.4 t0 -60.93 -42.41 98.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.619 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -54.41 -32.26 52.07 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 2.1 tt -62.85 -54.0 45.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.864 0.364 . . . . 0.0 110.624 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 51.2 tp -67.12 -31.06 71.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.52 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 5.0 t -66.81 -26.37 66.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.537 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 164' ' ' TYR . . . . . 0.421 ' C ' ' H ' ' A' ' 166' ' ' GLY . 93.9 t80 -76.46 -42.67 42.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.588 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -71.7 47.92 0.14 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.599 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 166' ' ' GLY . . . . . 0.421 ' H ' ' C ' ' A' ' 164' ' ' TYR . . . -130.8 39.12 1.83 Allowed Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 167' ' ' THR . . . . . 1.067 ' OG1' ' HD2' ' A' ' 168' ' ' PRO . 0.6 OUTLIER -108.61 -179.67 0.72 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 120.912 0.387 . . . . 0.0 110.567 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 168' ' ' PRO . . . . . 1.067 ' HD2' ' OG1' ' A' ' 167' ' ' THR . 55.2 Cg_endo -73.73 -146.35 0.03 OUTLIER 'Trans proline' 0 C--N 1.305 -1.733 0 C-N-CA 122.811 2.34 . . . . 0.0 112.12 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 169' ' ' THR . . . . . 0.595 ' C ' ' O ' ' A' ' 168' ' ' PRO . 21.4 p -22.29 101.03 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.618 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 170' ' ' TRP . . . . . 0.618 ' O ' HG23 ' A' ' 173' ' ' VAL . 27.3 p90 -64.69 -18.62 65.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.53 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 171' ' ' GLN . . . . . 0.54 ' NE2' ' OG1' ' A' ' 172' ' ' THR . 5.4 pp0? -47.26 -14.11 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.53 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 172' ' ' THR . . . . . 0.54 ' OG1' ' NE2' ' A' ' 171' ' ' GLN . 4.6 m -86.92 -29.54 22.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.554 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 173' ' ' VAL . . . . . 0.618 HG23 ' O ' ' A' ' 170' ' ' TRP . 2.0 m -72.15 -45.7 61.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.462 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 174' ' ' THR . . . . . 0.566 ' N ' ' CG2' ' A' ' 173' ' ' VAL . 25.0 m -64.53 -24.94 67.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.554 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 175' ' ' ILE . . . . . 0.428 HG23 ' O ' ' A' ' 172' ' ' THR . 1.7 tt -85.77 -7.43 10.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.587 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 176' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -94.65 -60.14 1.77 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.529 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 3.2 m -62.05 -16.72 16.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.553 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 178' ' ' ALA . . . . . 0.629 ' O ' ' OG1' ' A' ' 182' ' ' THR . . . -95.55 -45.93 6.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.587 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -62.29 -26.16 67.51 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 180' ' ' VAL . . . . . 0.519 ' CG1' ' N ' ' A' ' 181' ' ' LEU . 14.0 p -86.32 -51.66 12.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.84 0.352 . . . . 0.0 110.588 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 181' ' ' LEU . . . . . 0.519 ' N ' ' CG1' ' A' ' 180' ' ' VAL . 45.9 tp -69.35 -47.97 62.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.549 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 182' ' ' THR . . . . . 0.629 ' OG1' ' O ' ' A' ' 178' ' ' ALA . 26.3 m -50.5 -51.4 47.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.536 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -47.33 -45.74 24.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.558 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 184' ' ' SER . . . . . . . . . . . . . 27.1 t -54.37 -37.92 65.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.595 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 58.3 mt -77.66 -21.69 51.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.591 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 21.3 m -73.21 -44.87 58.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.571 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 187' ' ' ILE . . . . . 0.505 ' O ' ' C ' ' A' ' 188' ' ' TRP . 12.3 tt -73.66 -51.59 24.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.57 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 188' ' ' TRP . . . . . 0.505 ' C ' ' O ' ' A' ' 187' ' ' ILE . 0.2 OUTLIER -30.8 -56.9 0.22 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.513 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 7.8 mmtt -175.8 128.24 0.24 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.585 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 190' ' ' LYS . . . . . . . . . . . . . 17.7 pttm -109.87 89.61 3.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.545 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 191' ' ' MET . . . . . . . . . . . . . 82.3 mtp -128.6 136.55 50.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.559 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.738 0 CA-C-O 117.968 -1.462 . . . . 0.0 110.982 179.941 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 88.6 p . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.814 0.34 . . . . 0.0 110.528 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 70.0 m -74.88 -6.95 51.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.548 -151.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -92.85 -47.3 7.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.572 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 44.4 tp60 -64.09 -27.93 69.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.566 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 85.2 mt -79.04 -53.26 13.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.483 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.456 ' SD ' ' C ' ' A' ' 20' ' ' MET . 2.1 tmt? -55.65 -35.85 66.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.466 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.448 ' O ' ' HB2' ' A' ' 25' ' ' LEU . 16.9 ttmm -68.08 -45.11 74.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.48 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 37.7 m -72.82 -9.37 58.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.572 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -78.57 -53.83 4.52 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.568 ' O ' ' NE2' ' A' ' 28' ' ' GLN . . . -78.14 -9.47 59.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.885 0.374 . . . . 0.0 110.453 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.551 ' O ' ' C ' ' A' ' 26' ' ' LEU . 1.7 mp -86.96 -80.4 0.25 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.482 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.551 ' C ' ' O ' ' A' ' 25' ' ' LEU . 1.2 tt -27.11 -65.61 0.07 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.539 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.852 ' O ' HG13 ' A' ' 31' ' ' ILE . 0.4 OUTLIER -51.38 -58.34 6.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.541 179.922 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.568 ' NE2' ' O ' ' A' ' 24' ' ' ALA . 0.4 OUTLIER -47.0 -17.44 0.05 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.427 179.922 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.564 ' O ' ' N ' ' A' ' 31' ' ' ILE . . . -89.45 -73.39 1.28 Allowed Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.871 -0.892 . . . . 0.0 110.871 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 44.4 t80 -41.59 -18.77 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.846 0.355 . . . . 0.0 110.48 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.852 HG13 ' O ' ' A' ' 27' ' ' LEU . 74.7 mt -76.96 -69.95 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.47 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -78.41 30.48 0.18 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.567 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.458 ' H ' ' C ' ' A' ' 31' ' ' ILE . 67.2 t0 -113.41 -51.13 2.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.517 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 -91.32 -26.92 18.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.639 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -98.89 -13.1 20.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.601 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.664 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.568 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo . . . . . 0 N--CA 1.491 1.365 0 CA-C-O 120.801 0.25 . . . . 0.0 112.09 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -84.21 -12.58 54.58 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.526 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.421 ' O ' ' CD2' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -97.45 65.25 1.92 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.579 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -76.95 135.96 38.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.555 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.431 HD22 ' N ' ' A' ' 47' ' ' LEU . 1.4 pt? . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.57 179.152 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.777 0.323 . . . . 0.0 110.575 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -86.04 -1.98 57.88 Favored 'General case' 0 C--N 1.347 0.477 0 O-C-N 120.018 -1.676 . . . . 0.0 110.497 -176.609 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 70.5 m -59.23 -39.99 84.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.562 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 74.3 p -81.61 -34.02 31.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.533 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 58.4 mmtt -50.18 -54.89 17.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.553 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 30.3 ttpt -59.84 -47.73 84.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.567 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.3 mt -61.88 -26.53 68.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.64 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.6 t -71.15 -35.4 71.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.546 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -63.81 -31.88 73.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.525 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 94.5 m -64.07 -37.88 89.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.586 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 7.6 mp -75.24 -24.56 57.69 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.597 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -84.4 -36.47 22.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.572 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.44 ' O ' ' OE2' ' A' ' 69' ' ' GLU . 99.7 mtt180 -68.76 -44.35 73.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.473 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 20.5 tt -76.62 -35.04 24.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.501 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.43 ' O ' ' CB ' ' A' ' 71' ' ' ASP . . . -61.03 -45.43 96.63 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.951 -0.859 . . . . 0.0 110.951 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 47.6 t0 -62.86 -34.18 76.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.792 0.33 . . . . 0.0 110.591 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.544 ' OE1' ' N ' ' A' ' 69' ' ' GLU . 0.3 OUTLIER -79.62 -58.84 2.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.525 179.924 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -54.81 -43.27 72.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.481 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.43 ' CB ' ' O ' ' A' ' 67' ' ' GLY . 38.9 t70 -64.97 -8.61 16.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.623 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.7 t -96.65 7.31 46.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.499 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -93.27 111.28 22.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.614 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 8.7 ptm -67.92 -11.73 59.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.582 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 80.3 tt0 -79.93 -67.28 0.78 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.595 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 8.1 tp -59.8 -40.29 87.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.601 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.639 ' NE2' ' HZ2' ' A' ' 119' ' ' LYS . 69.4 tp60 -61.92 -37.77 85.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.477 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 75.1 ttt180 -68.66 -44.73 73.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.517 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 73.4 mtp -54.69 -43.94 72.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.566 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.538 ' O ' HG12 ' A' ' 83' ' ' VAL . 83.7 mt -62.18 -24.16 33.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.637 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -85.34 -19.03 32.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.538 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -86.4 -15.5 40.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.593 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.613 ' O ' ' CG1' ' A' ' 83' ' ' VAL . 8.1 p -89.61 84.39 2.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.56 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 55.0 p-10 -44.52 159.97 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.628 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.444 ' O ' ' OD1' ' A' ' 86' ' ' ASP . 66.9 p -116.56 127.69 54.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.586 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.444 ' OD1' ' O ' ' A' ' 85' ' ' THR . 69.1 m-20 -156.86 1.7 0.13 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.63 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.563 ' HG ' ' H ' ' A' ' 90' ' ' GLU . 37.9 t -175.87 71.55 0.26 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.603 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.582 ' O ' ' CB ' ' A' ' 92' ' ' PHE . 2.7 Cg_endo -49.96 -27.44 16.37 Favored 'Trans proline' 0 C--N 1.305 -1.755 0 C-N-CA 122.767 2.312 . . . . 0.0 111.994 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.502 ' CG ' ' N ' ' A' ' 90' ' ' GLU . 34.5 ptt-85 -75.27 -44.31 46.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.592 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.563 ' H ' ' HG ' ' A' ' 87' ' ' SER . 94.2 mt-10 -67.02 -62.85 1.22 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.548 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.519 ' CG1' ' N ' ' A' ' 92' ' ' PHE . 10.5 p -52.97 -54.53 16.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.518 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.582 ' CB ' ' O ' ' A' ' 88' ' ' PRO . 82.8 t80 -42.67 -55.83 3.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.589 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -64.73 -31.71 73.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.554 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 11.6 tpp85 -69.9 -59.09 3.14 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.495 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.455 ' CG2' ' N ' ' A' ' 96' ' ' ALA . 27.5 m -58.54 -48.71 84.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.542 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.455 ' N ' ' CG2' ' A' ' 95' ' ' VAL . . . -54.18 -27.74 35.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.588 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -81.93 -39.19 24.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.547 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.413 ' O ' ' C ' ' A' ' 99' ' ' MET . 99.8 m-20 -62.78 -38.97 92.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.612 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' MET . . . . . 0.508 ' HB2' HH21 ' A' ' 109' ' ' ARG . 63.5 mtt -37.97 -69.28 0.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.568 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.604 ' CD2' ' O ' ' A' ' 100' ' ' PHE . 16.3 p90 -111.07 57.84 0.62 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.521 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.2 t -74.91 -26.88 59.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.563 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . 0.538 ' O ' ' C ' ' A' ' 103' ' ' GLY . 55.3 p-10 -155.55 -18.47 0.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.547 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.538 ' C ' ' O ' ' A' ' 102' ' ' ASP . . . -26.19 -80.76 0.01 OUTLIER Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . 0.61 ' O ' ' CG ' ' A' ' 105' ' ' PHE . 8.3 m-20 174.48 34.21 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.764 0.316 . . . . 0.0 110.523 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.61 ' CG ' ' O ' ' A' ' 104' ' ' ASN . 28.4 p90 42.72 29.5 0.17 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.554 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . 0.542 ' CG ' ' H ' ' A' ' 107' ' ' TRP . 28.5 p30 -52.29 -110.21 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.53 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' TRP . . . . . 0.542 ' H ' ' CG ' ' A' ' 106' ' ' ASN . 6.7 t90 174.25 -26.14 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.505 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . 0.43 ' O ' HG13 ' A' ' 111' ' ' VAL . . . -50.37 -42.07 41.58 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . 0.508 HH21 ' HB2' ' A' ' 99' ' ' MET . 0.0 OUTLIER -48.31 -25.36 1.53 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.808 0.337 . . . . 0.0 110.586 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.474 ' N ' ' HD3' ' A' ' 109' ' ' ARG . 36.5 t -53.3 -57.61 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.566 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.559 ' CG1' ' N ' ' A' ' 112' ' ' ALA . 4.7 p -45.51 -46.82 4.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.567 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.559 ' N ' ' CG1' ' A' ' 111' ' ' VAL . . . -58.28 -34.1 70.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.534 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.2 tt -57.87 -46.01 85.47 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.519 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . 0.403 ' CD2' ' HG ' ' A' ' 27' ' ' LEU . 3.2 m-85 -58.02 -43.4 86.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.58 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 89.8 t80 -68.76 -42.19 77.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.538 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 92.3 t80 -60.23 -41.31 92.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.551 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . 0.402 ' O ' HG23 ' A' ' 121' ' ' VAL . . . -72.03 -31.88 66.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.465 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 5.8 t -49.28 -42.62 41.57 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.519 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.818 ' O ' ' CB ' ' A' ' 123' ' ' LYS . 57.3 mmtt -61.87 -43.45 98.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.546 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 50.2 mt -68.44 -28.86 67.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.377 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 117' ' ' ALA . 59.3 t -79.12 -54.1 12.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.385 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 68.5 mt -72.48 -40.91 66.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.482 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.818 ' CB ' ' O ' ' A' ' 119' ' ' LYS . 19.8 ttpp -58.13 -40.61 81.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.418 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.478 ' O ' ' OG1' ' A' ' 127' ' ' THR . . . -76.58 -19.83 57.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.458 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 5.6 tt -65.43 -31.03 71.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.575 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' CYS . . . . . 0.465 ' SG ' ' N ' ' A' ' 127' ' ' THR . 1.6 p -84.92 -33.54 22.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.545 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' THR . . . . . 0.68 ' O ' ' HB2' ' A' ' 128' ' ' LYS . 35.8 p -56.23 -21.69 25.0 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.616 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . 0.68 ' HB2' ' O ' ' A' ' 127' ' ' THR . 17.4 mtpp 86.39 53.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.602 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . 0.414 ' CG2' ' OG1' ' A' ' 127' ' ' THR . 0.1 OUTLIER -154.55 69.65 5.94 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.608 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -48.42 -27.91 10.86 Favored 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 122.87 2.38 . . . . 0.0 112.119 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -51.81 -52.05 51.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.639 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.52 ' HA ' ' OG1' ' A' ' 135' ' ' THR . 8.6 mp -50.32 -35.88 29.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.618 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 22.5 mm -56.5 -51.0 70.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.785 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 93.9 mtt180 -68.89 -35.23 76.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.604 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' THR . . . . . 0.52 ' OG1' ' HA ' ' A' ' 132' ' ' LEU . 69.1 p -66.21 -32.05 73.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.652 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 47.2 mt -69.51 -59.09 3.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.591 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' MET . . . . . 0.424 ' O ' ' OG1' ' A' ' 140' ' ' THR . 78.6 mtm -46.06 -25.75 0.63 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.632 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -68.31 -40.73 87.17 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' TRP . . . . . 0.563 ' CD1' ' N ' ' A' ' 139' ' ' TRP . 9.3 m0 -66.12 -24.57 66.71 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.766 0.317 . . . . 0.0 110.599 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' THR . . . . . 0.471 ' OG1' ' N ' ' A' ' 141' ' ' LEU . 22.9 p -75.42 -65.66 0.86 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.515 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . 0.471 ' N ' ' OG1' ' A' ' 140' ' ' THR . 53.8 mt -51.91 -33.58 37.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.581 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -65.81 -51.0 62.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.52 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . 0.425 ' O ' ' HB2' ' A' ' 147' ' ' ARG . 5.2 t80 -66.88 -38.91 87.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.543 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 2.0 tp -70.94 -35.57 72.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.6 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 59.0 ttp180 -82.74 -11.14 58.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.537 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -111.67 -4.83 14.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.56 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . 1.146 ' O ' ' N ' ' A' ' 149' ' ' LEU . 12.1 mtp180 -141.74 -110.56 0.13 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.554 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . 0.685 ' O ' ' N ' ' A' ' 152' ' ' ILE . 1.0 OUTLIER -16.05 -27.01 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.612 -179.896 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . 1.146 ' N ' ' O ' ' A' ' 147' ' ' ARG . 48.5 tp -49.72 -55.95 12.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.545 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -64.11 -50.71 58.63 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 151' ' ' TRP . . . . . . . . . . . . . 99.6 m95 -66.11 -55.98 13.73 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.772 0.32 . . . . 0.0 110.501 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 152' ' ' ILE . . . . . 0.685 ' N ' ' O ' ' A' ' 148' ' ' LEU . 10.8 tt -51.32 -34.03 14.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.453 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 47.4 tt0 -67.63 -31.29 71.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.56 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -89.23 -4.01 58.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.488 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -98.12 0.97 47.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.623 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 83.42 24.36 51.17 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 89.89 -160.02 28.34 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . 59.1 m95 -74.22 -5.47 42.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.82 0.343 . . . . 0.0 110.556 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -61.09 -42.47 98.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.518 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -54.69 -31.54 53.46 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 2.1 tt -63.55 -53.49 50.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.812 0.339 . . . . 0.0 110.611 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 51.6 tp -67.95 -30.28 69.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.55 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 5.5 t -68.11 -23.76 64.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.629 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 91.1 t80 -80.09 -41.02 26.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.634 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -71.49 50.68 0.17 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.57 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -135.9 42.64 1.31 Allowed Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 167' ' ' THR . . . . . 0.643 ' O ' ' O ' ' A' ' 168' ' ' PRO . 0.5 OUTLIER -111.57 161.57 24.88 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 120.883 0.373 . . . . 0.0 110.534 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 168' ' ' PRO . . . . . 0.643 ' O ' ' O ' ' A' ' 167' ' ' THR . 1.4 Cg_endo -47.72 -136.62 0.0 OUTLIER 'Trans proline' 0 C--N 1.306 -1.707 0 C-N-CA 122.752 2.301 . . . . 0.0 112.074 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 169' ' ' THR . . . . . 0.459 ' H ' ' HB2' ' A' ' 168' ' ' PRO . 10.6 p -38.43 114.15 0.35 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.613 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 170' ' ' TRP . . . . . 0.643 ' O ' HG23 ' A' ' 173' ' ' VAL . 8.3 p90 -71.79 -18.12 62.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.576 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 171' ' ' GLN . . . . . 0.534 ' NE2' ' OG1' ' A' ' 172' ' ' THR . 5.4 pp0? -47.31 -15.89 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.565 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 172' ' ' THR . . . . . 0.534 ' OG1' ' NE2' ' A' ' 171' ' ' GLN . 4.8 m -85.26 -29.45 24.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.543 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 173' ' ' VAL . . . . . 0.643 HG23 ' O ' ' A' ' 170' ' ' TRP . 2.0 m -72.36 -45.6 59.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.614 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 174' ' ' THR . . . . . 0.57 ' N ' ' CG2' ' A' ' 173' ' ' VAL . 24.9 m -64.5 -25.12 67.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.594 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 175' ' ' ILE . . . . . 0.418 ' O ' ' CG2' ' A' ' 175' ' ' ILE . 90.7 mt -85.59 -7.5 10.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.608 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 176' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -94.66 -59.91 1.82 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.536 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 3.1 m -62.35 -16.52 16.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.566 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 178' ' ' ALA . . . . . 0.63 ' O ' ' OG1' ' A' ' 182' ' ' THR . . . -95.77 -45.8 6.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.546 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -62.66 -25.52 67.45 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.909 -0.877 . . . . 0.0 110.909 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 180' ' ' VAL . . . . . 0.516 ' CG1' ' N ' ' A' ' 181' ' ' LEU . 13.7 p -86.78 -51.51 12.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.782 0.325 . . . . 0.0 110.526 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 181' ' ' LEU . . . . . 0.516 ' N ' ' CG1' ' A' ' 180' ' ' VAL . 43.3 tp -69.64 -47.82 62.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.626 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 182' ' ' THR . . . . . 0.63 ' OG1' ' O ' ' A' ' 178' ' ' ALA . 25.9 m -50.51 -51.62 45.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.529 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -47.28 -45.74 24.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.498 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 184' ' ' SER . . . . . . . . . . . . . 28.2 t -54.39 -37.77 65.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.557 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 63.9 mt -77.72 -21.65 51.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.515 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 21.2 m -73.27 -44.98 58.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.541 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 187' ' ' ILE . . . . . 0.507 ' O ' ' C ' ' A' ' 188' ' ' TRP . 12.6 tt -73.59 -51.86 23.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.586 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 188' ' ' TRP . . . . . 0.507 ' C ' ' O ' ' A' ' 187' ' ' ILE . 0.2 OUTLIER -30.39 -57.33 0.2 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.542 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 8.0 mmtt -175.4 128.42 0.27 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.654 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 190' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.87 89.61 3.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.5 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 191' ' ' MET . . . . . . . . . . . . . 92.6 mtp -128.67 136.51 50.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.573 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.809 0 CA-C-O 117.904 -1.498 . . . . 0.0 110.94 179.96 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 1.106 ' O ' HD11 ' A' ' 19' ' ' ILE . 1.3 p . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.751 0.31 . . . . 0.0 110.542 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 36.2 m -92.31 -21.3 20.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.617 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.1 mm-40 -93.67 -51.12 5.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.612 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -52.33 -36.99 54.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.656 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 1.106 HD11 ' O ' ' A' ' 15' ' ' SER . 81.8 mt -71.81 -49.17 47.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.654 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.445 ' SD ' ' C ' ' A' ' 20' ' ' MET . 2.1 tmt? -59.25 -36.4 75.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.807 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -68.04 -42.78 80.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.747 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 84.7 m -73.03 -16.46 61.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.665 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -72.31 -54.54 7.72 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.74 -11.04 59.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.733 0.302 . . . . 0.0 110.67 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.518 ' O ' ' C ' ' A' ' 26' ' ' LEU . 5.9 tt -86.49 -77.19 0.32 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.624 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.518 ' C ' ' O ' ' A' ' 25' ' ' LEU . 49.4 tp -30.37 -63.88 0.13 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.598 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.7 tp -53.02 -55.86 20.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.592 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.426 ' O ' ' OE1' ' A' ' 28' ' ' GLN . 7.5 tp-100 -49.21 -17.99 0.3 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.569 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.524 ' O ' ' N ' ' A' ' 31' ' ' ILE . . . -88.6 -72.03 1.27 Allowed Glycine 0 CA--C 1.523 0.578 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -42.7 -18.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.75 0.31 . . . . 0.0 110.506 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.524 ' N ' ' O ' ' A' ' 29' ' ' GLY . 87.0 mt -77.02 -68.76 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.577 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -79.17 29.8 0.22 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.572 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.446 ' H ' ' C ' ' A' ' 31' ' ' ILE . 68.4 t0 -112.84 -50.95 2.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.54 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 -91.31 -26.83 18.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.582 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -99.17 -12.98 19.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.574 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.682 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.951 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo . . . . . 0 N--CA 1.491 1.366 0 CA-C-O 120.792 0.247 . . . . 0.0 112.124 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.472 ' OE1' ' HB3' ' A' ' 130' ' ' PRO . 28.7 mt-10 -94.06 -10.76 32.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.511 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.727 ' CD2' ' N ' ' A' ' 45' ' ' LEU . 0.4 OUTLIER -102.73 64.62 0.88 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.544 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.801 ' O ' ' CB ' ' A' ' 47' ' ' LEU . . . -71.95 137.57 47.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.573 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.801 ' CB ' ' O ' ' A' ' 46' ' ' ALA . 35.2 tp . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.57 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.437 ' OD1' ' N ' ' A' ' 54' ' ' ALA . 41.6 t0 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.808 0.337 . . . . 0.0 110.534 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.437 ' N ' ' OD1' ' A' ' 53' ' ' ASP . . . -82.48 -3.57 56.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.554 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 38.7 t -57.63 -40.05 78.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.516 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -81.37 -33.76 32.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.525 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 58.8 mmtt -50.69 -54.6 21.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.609 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 30.5 ttpt -60.14 -47.48 85.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.558 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.14 -26.39 68.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.563 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.7 t -71.3 -35.53 71.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.512 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -63.64 -31.82 73.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.635 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 92.7 m -64.18 -37.89 89.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.557 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.445 ' CD1' ' N ' ' A' ' 63' ' ' LEU . 8.9 mp -75.27 -24.66 57.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.662 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -84.28 -36.63 22.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.577 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.441 ' O ' ' OE2' ' A' ' 69' ' ' GLU . 99.7 mtt180 -68.43 -44.48 74.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.592 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 20.7 tt -76.6 -34.99 24.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.542 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.426 ' O ' ' CB ' ' A' ' 71' ' ' ASP . . . -61.01 -45.36 96.77 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.441 ' OD1' ' O ' ' A' ' 68' ' ' ASP . 68.3 t0 -62.84 -34.27 76.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.667 0.27 . . . . 0.0 110.525 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.551 ' OE1' ' N ' ' A' ' 69' ' ' GLU . 0.3 OUTLIER -79.63 -58.49 3.16 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.597 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.19 -43.05 74.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.552 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.426 ' CB ' ' O ' ' A' ' 67' ' ' GLY . 38.9 t70 -65.07 -8.72 17.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.593 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.6 t -96.44 7.08 47.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.565 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -93.0 111.42 23.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.567 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 98.0 mmm -68.26 -11.15 58.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.585 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -80.4 -67.23 0.79 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.587 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 7.5 tp -59.86 -40.26 87.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.569 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 8.8 tm0? -61.83 -37.88 86.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.587 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 71.3 ttt180 -68.51 -44.98 73.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.568 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 73.8 mtp -54.42 -43.92 71.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.575 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.512 ' O ' HG12 ' A' ' 83' ' ' VAL . 84.1 mt -62.42 -23.68 32.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.61 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -86.04 -18.74 31.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.526 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -86.37 -15.52 40.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.585 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.621 ' O ' ' CG1' ' A' ' 83' ' ' VAL . 7.4 p -89.36 82.89 2.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.562 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.413 ' O ' ' O ' ' A' ' 83' ' ' VAL . 53.7 p-10 -40.81 162.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.531 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 64.1 p -119.51 119.66 34.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.599 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 55.7 p-10 -148.24 -0.85 0.57 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.535 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.484 ' HG ' ' H ' ' A' ' 90' ' ' GLU . 34.1 t -175.31 87.79 0.3 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.548 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.507 ' O ' ' CB ' ' A' ' 92' ' ' PHE . 35.2 Cg_endo -67.89 -16.47 45.67 Favored 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.772 2.315 . . . . 0.0 112.11 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 15.0 ptt-85 -85.15 -35.12 21.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.497 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.484 ' H ' ' HG ' ' A' ' 87' ' ' SER . 94.8 mt-10 -78.16 -58.07 3.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.507 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.477 ' CG1' ' N ' ' A' ' 92' ' ' PHE . 9.5 p -56.96 -51.55 67.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.524 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.507 ' CB ' ' O ' ' A' ' 88' ' ' PRO . 85.6 t80 -45.75 -52.57 10.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.517 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -67.63 -30.51 70.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.541 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.708 ' NE ' ' HE1' ' A' ' 188' ' ' TRP . 20.1 ttp180 -71.32 -57.81 4.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.597 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.447 ' CG2' ' N ' ' A' ' 96' ' ' ALA . 28.4 m -59.67 -48.13 88.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.52 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.447 ' N ' ' CG2' ' A' ' 95' ' ' VAL . . . -54.93 -27.69 45.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.573 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -81.92 -38.87 24.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.513 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.41 ' O ' ' C ' ' A' ' 99' ' ' MET . 99.8 m-20 -63.09 -38.8 92.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.54 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' MET . . . . . 0.5 ' HB2' HH21 ' A' ' 109' ' ' ARG . 64.1 mtt -38.24 -69.0 0.13 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.548 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.604 ' CD2' ' O ' ' A' ' 100' ' ' PHE . 16.6 p90 -111.17 57.55 0.62 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.56 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.3 t -74.68 -26.73 60.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.665 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . 0.532 ' O ' ' C ' ' A' ' 103' ' ' GLY . 54.9 p-10 -155.67 -18.37 0.11 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.508 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.532 ' C ' ' O ' ' A' ' 102' ' ' ASP . . . -26.25 -80.73 0.01 OUTLIER Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . 0.606 ' O ' ' CG ' ' A' ' 105' ' ' PHE . 28.5 t-20 174.53 34.34 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.789 0.328 . . . . 0.0 110.631 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.606 ' CG ' ' O ' ' A' ' 104' ' ' ASN . 28.9 p90 42.72 29.09 0.15 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.533 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . 0.546 ' CG ' ' H ' ' A' ' 107' ' ' TRP . 28.0 p30 -52.07 -110.51 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.566 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' TRP . . . . . 0.546 ' H ' ' CG ' ' A' ' 106' ' ' ASN . 6.6 t90 174.6 -26.15 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.554 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . 0.437 ' O ' HG13 ' A' ' 111' ' ' VAL . . . -50.2 -42.1 40.2 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . 0.5 HH21 ' HB2' ' A' ' 99' ' ' MET . 0.0 OUTLIER -48.04 -26.1 1.68 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.858 0.361 . . . . 0.0 110.645 179.928 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.478 ' N ' ' HD3' ' A' ' 109' ' ' ARG . 37.0 t -52.58 -57.94 3.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.514 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.554 ' CG1' ' N ' ' A' ' 112' ' ' ALA . 4.7 p -45.29 -46.76 3.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.529 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.554 ' N ' ' CG1' ' A' ' 111' ' ' VAL . . . -58.16 -34.83 70.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.574 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 1.9 tt -57.04 -46.78 82.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.578 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -57.26 -44.03 83.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.538 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 92.6 t80 -68.01 -43.46 78.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.538 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 92.7 t80 -59.23 -41.7 89.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.504 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -71.13 -32.45 69.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.583 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 4.9 t -48.75 -44.09 38.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.561 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.814 ' O ' ' CB ' ' A' ' 123' ' ' LYS . 55.1 mmtt -60.09 -43.49 95.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.529 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 52.3 mt -68.26 -30.84 69.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.552 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.408 ' O ' ' CD1' ' A' ' 133' ' ' ILE . 55.8 t -77.63 -53.32 14.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.474 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 71.0 mt -73.03 -40.74 64.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.546 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.814 ' CB ' ' O ' ' A' ' 119' ' ' LYS . 39.5 tptt -58.36 -41.21 84.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.507 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.455 ' O ' ' OG1' ' A' ' 127' ' ' THR . . . -75.69 -20.75 58.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.502 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 15.0 tp -64.39 -30.62 71.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.573 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 36.3 t -84.29 -36.26 22.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.585 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' THR . . . . . 0.557 ' O ' ' CB ' ' A' ' 128' ' ' LYS . 41.1 p -54.15 -16.73 2.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.471 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . 0.557 ' CB ' ' O ' ' A' ' 127' ' ' THR . 72.3 tttt 84.84 46.62 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.531 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . 0.553 ' CG2' ' OG1' ' A' ' 127' ' ' THR . 0.2 OUTLIER -148.3 87.56 5.64 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.519 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' PRO . . . . . 0.472 ' HB3' ' OE1' ' A' ' 44' ' ' GLU . 38.3 Cg_endo -69.98 -15.04 36.12 Favored 'Trans proline' 0 C--N 1.305 -1.734 0 C-N-CA 122.782 2.321 . . . . 0.0 112.027 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . 0.492 ' O ' HG23 ' A' ' 135' ' ' THR . 80.9 tt0 -64.07 -41.59 97.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.467 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.532 ' HA ' ' OG1' ' A' ' 135' ' ' THR . 8.5 mp -60.5 -34.16 73.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.549 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . 0.419 HD13 HG21 ' A' ' 133' ' ' ILE . 21.0 mm -56.85 -50.07 76.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.535 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 83.9 mtp180 -69.18 -34.87 75.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.505 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' THR . . . . . 0.532 ' OG1' ' HA ' ' A' ' 132' ' ' LEU . 70.8 p -67.19 -31.94 72.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.546 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 45.7 mt -69.67 -58.83 4.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.519 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 71.9 mtp -46.53 -25.53 0.7 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.527 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -68.61 -40.49 85.9 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' TRP . . . . . 0.509 ' CD1' ' N ' ' A' ' 139' ' ' TRP . 8.5 m0 -66.38 -24.47 66.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.78 0.324 . . . . 0.0 110.54 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' THR . . . . . 0.511 ' OG1' ' N ' ' A' ' 141' ' ' LEU . 13.4 p -75.49 -65.83 0.85 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.531 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . 0.511 ' N ' ' OG1' ' A' ' 140' ' ' THR . 53.1 mt -51.87 -33.57 37.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.587 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -65.71 -51.05 62.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.57 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . 0.499 ' O ' ' HB2' ' A' ' 147' ' ' ARG . 37.1 t80 -66.9 -38.89 87.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.499 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 2.0 tp -71.07 -35.46 71.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.58 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 59.0 ttp180 -83.04 -10.64 58.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.616 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -111.98 -4.67 14.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.575 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . 1.153 ' O ' ' N ' ' A' ' 149' ' ' LEU . 7.8 mtp180 -142.15 -110.95 0.13 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.636 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . 0.698 ' O ' ' N ' ' A' ' 152' ' ' ILE . 1.0 OUTLIER -15.38 -27.78 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.604 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . 1.153 ' N ' ' O ' ' A' ' 147' ' ' ARG . 57.9 tp -49.01 -56.29 9.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.604 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -63.96 -50.65 59.39 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 151' ' ' TRP . . . . . . . . . . . . . 99.9 m95 -66.24 -55.81 14.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.803 0.335 . . . . 0.0 110.61 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 152' ' ' ILE . . . . . 0.698 ' N ' ' O ' ' A' ' 148' ' ' LEU . 10.5 tt -51.22 -34.45 14.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.589 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . 0.493 ' NE2' ' CD1' ' A' ' 149' ' ' LEU . 51.4 mt-30 -67.41 -31.33 71.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.543 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -88.96 -4.61 58.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.584 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -97.45 0.83 48.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.562 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 83.65 24.67 49.26 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 89.82 -160.31 28.64 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . 54.4 m95 -74.02 -5.53 41.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.784 0.326 . . . . 0.0 110.529 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -60.92 -42.52 98.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.538 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -54.39 -32.2 51.84 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 2.0 tt -62.95 -54.0 45.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.772 0.32 . . . . 0.0 110.584 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 48.3 tp -67.12 -30.98 71.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.577 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 21.2 t -66.84 -26.31 66.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.521 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 164' ' ' TYR . . . . . 0.421 ' C ' ' H ' ' A' ' 166' ' ' GLY . 93.5 t80 -76.6 -42.68 41.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.571 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -71.62 48.15 0.14 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.478 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 166' ' ' GLY . . . . . 0.421 ' H ' ' C ' ' A' ' 164' ' ' TYR . . . -131.34 39.32 1.79 Allowed Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 167' ' ' THR . . . . . 1.047 ' OG1' ' HD2' ' A' ' 168' ' ' PRO . 0.6 OUTLIER -108.66 179.5 0.84 Allowed Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 120.832 0.348 . . . . 0.0 110.597 179.901 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 168' ' ' PRO . . . . . 1.047 ' HD2' ' OG1' ' A' ' 167' ' ' THR . 47.2 Cg_endo -72.31 -146.47 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.743 0 C-N-CA 122.862 2.375 . . . . 0.0 112.069 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 169' ' ' THR . . . . . 0.594 ' C ' ' O ' ' A' ' 168' ' ' PRO . 67.2 p -22.84 102.2 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.507 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 170' ' ' TRP . . . . . 0.618 ' O ' HG23 ' A' ' 173' ' ' VAL . 34.3 p90 -65.33 -18.61 65.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.563 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 171' ' ' GLN . . . . . . . . . . . . . 4.5 pp0? -46.96 -14.2 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.598 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 172' ' ' THR . . . . . 0.503 ' H ' ' C ' ' A' ' 170' ' ' TRP . 4.8 m -86.93 -29.55 22.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.587 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 173' ' ' VAL . . . . . 0.618 HG23 ' O ' ' A' ' 170' ' ' TRP . 2.0 m -72.15 -45.67 61.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.551 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 174' ' ' THR . . . . . 0.564 ' N ' ' CG2' ' A' ' 173' ' ' VAL . 24.9 m -64.58 -24.92 67.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.578 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 175' ' ' ILE . . . . . 0.427 HG23 ' O ' ' A' ' 172' ' ' THR . 1.7 tt -85.82 -7.38 10.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.551 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 176' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -94.7 -60.04 1.79 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.593 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 3.2 m -62.13 -16.71 16.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.597 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 178' ' ' ALA . . . . . 0.636 ' O ' ' OG1' ' A' ' 182' ' ' THR . . . -95.51 -45.9 6.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.606 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -62.36 -26.19 67.67 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 180' ' ' VAL . . . . . 0.519 ' CG1' ' N ' ' A' ' 181' ' ' LEU . 13.8 p -86.21 -51.73 12.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.848 0.356 . . . . 0.0 110.606 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 181' ' ' LEU . . . . . 0.519 ' N ' ' CG1' ' A' ' 180' ' ' VAL . 43.5 tp -69.34 -47.97 62.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.543 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 182' ' ' THR . . . . . 0.636 ' OG1' ' O ' ' A' ' 178' ' ' ALA . 25.4 m -50.47 -51.43 47.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.619 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -47.31 -45.68 24.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.566 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 184' ' ' SER . . . . . . . . . . . . . 27.6 t -54.48 -37.93 65.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.494 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 60.3 mt -77.56 -21.76 52.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.613 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 21.5 m -73.22 -44.84 58.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.574 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 187' ' ' ILE . . . . . 0.508 ' O ' ' C ' ' A' ' 188' ' ' TRP . 12.5 tt -73.69 -51.7 23.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.547 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 188' ' ' TRP . . . . . 0.708 ' HE1' ' NE ' ' A' ' 94' ' ' ARG . 6.2 t90 -30.72 -56.98 0.21 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.573 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 7.5 mmtt -175.68 128.35 0.25 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.569 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 190' ' ' LYS . . . . . . . . . . . . . 14.7 ptmt -109.95 89.48 3.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.536 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 191' ' ' MET . . . . . . . . . . . . . 84.0 mtp -128.56 136.62 51.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.591 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.763 0 CA-C-O 118.002 -1.443 . . . . 0.0 110.93 -179.994 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.995 ' O ' HD11 ' A' ' 19' ' ' ILE . 3.3 p . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.779 0.323 . . . . 0.0 110.441 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.493 ' H ' ' HB2' ' A' ' 15' ' ' SER . 23.3 m -95.52 -15.41 22.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.416 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 69.2 mm-40 -78.18 -49.65 13.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.539 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.483 ' CD ' ' O ' ' A' ' 18' ' ' GLN . 3.5 tm0? -66.63 -23.6 66.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.566 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.995 HD11 ' O ' ' A' ' 15' ' ' SER . 72.4 mt -81.52 -55.2 8.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.641 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.457 ' SD ' ' C ' ' A' ' 20' ' ' MET . 12.9 tmm? -53.11 -36.79 61.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.607 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 64.3 mmtt -67.15 -46.08 75.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.552 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 32.9 m -72.39 -8.1 53.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.528 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -79.41 -53.91 4.21 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.87 ' O ' ' HB3' ' A' ' 28' ' ' GLN . . . -78.33 -9.37 59.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.767 0.317 . . . . 0.0 110.473 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.549 ' O ' ' C ' ' A' ' 26' ' ' LEU . 4.7 tt -86.62 -80.82 0.23 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.58 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.549 ' C ' ' O ' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -26.83 -65.69 0.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.563 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.42 ' C ' ' N ' ' A' ' 29' ' ' GLY . 10.9 mp -51.25 -57.78 7.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.654 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.87 ' HB3' ' O ' ' A' ' 24' ' ' ALA . 0.4 OUTLIER -47.64 -17.78 0.11 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.536 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.541 ' O ' ' N ' ' A' ' 31' ' ' ILE . . . -88.81 -72.8 1.28 Allowed Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 44.8 t80 -42.17 -18.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.787 0.327 . . . . 0.0 110.535 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.541 ' N ' ' O ' ' A' ' 29' ' ' GLY . 90.8 mt -76.97 -69.2 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.547 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.526 ' CD ' ' O ' ' A' ' 32' ' ' GLN . 5.4 pp0? -78.88 29.98 0.2 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.554 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.451 ' H ' ' C ' ' A' ' 31' ' ' ILE . 67.9 t0 -112.96 -50.96 2.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.598 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.421 ' NH2' ' OD2' ' A' ' 71' ' ' ASP . 16.0 ptm180 -91.4 -26.86 18.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.538 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -99.11 -12.96 20.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.603 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.674 0 N-CA-C 110.911 -0.875 . . . . 0.0 110.911 -179.971 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo . . . . . 0 N--CA 1.493 1.46 0 CA-C-O 120.91 0.296 . . . . 0.0 112.061 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.676 ' OE1' ' N ' ' A' ' 44' ' ' GLU . 40.5 mp0 -74.8 -14.98 60.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.612 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.443 HD21 ' CG ' ' A' ' 32' ' ' GLN . 25.2 tp -90.82 63.99 5.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.533 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -78.16 133.95 37.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.529 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.53 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.804 0.335 . . . . 0.0 110.598 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -80.76 -1.43 42.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.568 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 98.3 p -58.28 -40.28 81.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.597 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -80.46 -34.14 36.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.57 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -50.61 -54.77 20.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.554 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 30.4 ttpt -60.04 -47.61 85.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.609 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.4 ' CD2' ' O ' ' A' ' 59' ' ' LEU . 0.9 OUTLIER -62.01 -26.47 68.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.64 179.907 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.5 t -71.13 -35.53 71.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.642 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -63.66 -31.83 73.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.563 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 99.8 m -64.12 -37.95 89.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.6 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.416 ' CD1' ' N ' ' A' ' 63' ' ' LEU . 9.5 mp -75.17 -24.83 57.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.511 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -84.12 -36.62 22.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.663 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.429 ' O ' ' OE2' ' A' ' 69' ' ' GLU . 95.0 mtt180 -68.56 -44.43 74.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.588 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 21.0 tt -76.49 -35.08 25.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.567 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.425 ' O ' ' CB ' ' A' ' 71' ' ' ASP . . . -61.14 -45.21 97.01 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.437 ' OD1' ' O ' ' A' ' 68' ' ' ASP . 68.2 t0 -62.87 -34.34 77.18 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.764 0.316 . . . . 0.0 110.495 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.534 ' OE1' ' N ' ' A' ' 69' ' ' GLU . 0.3 OUTLIER -79.65 -58.39 3.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.604 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.25 -43.03 74.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.568 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.425 ' CB ' ' O ' ' A' ' 67' ' ' GLY . 53.7 t0 -65.02 -8.78 17.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.59 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.6 t -96.44 7.09 47.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.554 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -92.98 111.46 23.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.595 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 64.3 mtt -68.28 -11.3 59.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.542 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -80.27 -67.3 0.78 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.59 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 7.6 tp -59.76 -40.36 87.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.552 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 10.8 tm0? -61.69 -38.03 86.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.521 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 76.1 ttt180 -68.52 -44.89 73.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.51 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 73.2 mtp -54.57 -43.88 72.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.529 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.514 ' O ' HG12 ' A' ' 83' ' ' VAL . 82.1 mt -62.39 -23.68 32.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.582 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -86.04 -18.69 31.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.584 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -86.51 -15.35 40.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.538 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.617 ' O ' ' CG1' ' A' ' 83' ' ' VAL . 7.8 p -89.47 82.74 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.623 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.422 ' O ' ' O ' ' A' ' 83' ' ' VAL . 56.9 p-10 -40.51 162.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.594 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 37.9 p -119.79 119.77 34.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.613 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -148.53 -0.59 0.55 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.48 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.4 ' O ' HG11 ' A' ' 91' ' ' VAL . 46.0 t -175.4 87.45 0.3 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.544 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.496 ' O ' ' CB ' ' A' ' 92' ' ' PHE . 35.0 Cg_endo -67.85 -15.74 44.51 Favored 'Trans proline' 0 C--N 1.306 -1.685 0 C-N-CA 122.794 2.33 . . . . 0.0 112.12 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 33.9 ptt-85 -85.4 -35.96 20.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.548 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -77.55 -58.58 3.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.533 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.485 ' CG1' ' N ' ' A' ' 92' ' ' PHE . 10.5 p -56.05 -51.87 56.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.543 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.496 ' CB ' ' O ' ' A' ' 88' ' ' PRO . 84.5 t80 -45.66 -52.65 10.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.454 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -67.61 -30.56 70.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.586 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 10.8 tpp85 -71.33 -57.96 3.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.549 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.447 ' CG2' ' N ' ' A' ' 96' ' ' ALA . 27.9 m -59.36 -48.2 87.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.493 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.447 ' N ' ' CG2' ' A' ' 95' ' ' VAL . . . -54.98 -27.6 45.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.614 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -81.96 -38.89 24.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.502 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.41 ' O ' ' C ' ' A' ' 99' ' ' MET . 99.7 m-20 -63.15 -38.67 92.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.554 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' MET . . . . . 0.496 ' HB2' HH21 ' A' ' 109' ' ' ARG . 64.7 mtt -38.45 -68.87 0.14 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.539 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.597 ' CD2' ' O ' ' A' ' 100' ' ' PHE . 17.3 p90 -111.23 57.6 0.62 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.623 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.2 t -74.71 -26.78 60.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.587 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . 0.535 ' O ' ' C ' ' A' ' 103' ' ' GLY . 55.5 p-10 -155.58 -18.43 0.11 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.593 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.535 ' C ' ' O ' ' A' ' 102' ' ' ASP . . . -26.3 -80.68 0.01 OUTLIER Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . 0.606 ' O ' ' CG ' ' A' ' 105' ' ' PHE . 11.5 m-20 174.49 34.36 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.821 0.343 . . . . 0.0 110.598 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.606 ' CG ' ' O ' ' A' ' 104' ' ' ASN . 26.6 p90 42.69 29.13 0.15 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.507 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . 0.546 ' CG ' ' H ' ' A' ' 107' ' ' TRP . 28.8 p30 -52.13 -110.49 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.565 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' TRP . . . . . 0.546 ' H ' ' CG ' ' A' ' 106' ' ' ASN . 6.4 t90 174.64 -26.19 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.576 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . 0.436 ' O ' HG13 ' A' ' 111' ' ' VAL . . . -50.11 -42.14 39.51 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.876 -0.89 . . . . 0.0 110.876 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . 0.496 HH21 ' HB2' ' A' ' 99' ' ' MET . 0.0 OUTLIER -48.14 -26.01 1.71 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.782 0.325 . . . . 0.0 110.58 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.472 ' N ' ' HD3' ' A' ' 109' ' ' ARG . 35.0 t -52.63 -57.89 3.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.583 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.556 ' CG1' ' N ' ' A' ' 112' ' ' ALA . 4.7 p -45.19 -46.83 3.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.573 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.556 ' N ' ' CG1' ' A' ' 111' ' ' VAL . . . -57.97 -35.22 70.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.525 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 1.9 tt -56.8 -46.79 81.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.498 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . 0.451 ' CZ ' ' CG1' ' A' ' 110' ' ' VAL . 9.8 m-85 -57.18 -44.05 83.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.556 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 92.5 t80 -68.02 -43.67 78.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.499 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 93.2 t80 -59.01 -41.94 88.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.509 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -70.88 -32.59 69.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.566 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 4.8 t -48.63 -44.31 37.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.516 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.821 ' O ' ' CB ' ' A' ' 123' ' ' LYS . 54.5 mmtt -59.91 -43.57 94.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.545 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 54.0 mt -68.11 -31.22 70.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.517 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.404 ' O ' ' CD1' ' A' ' 133' ' ' ILE . 54.6 t -77.16 -53.58 14.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.545 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 70.2 mt -72.87 -40.9 65.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.558 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.821 ' CB ' ' O ' ' A' ' 119' ' ' LYS . 88.8 tttt -58.12 -40.98 82.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.612 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -75.83 -21.66 57.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.594 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 42.5 tp -63.18 -32.2 73.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.613 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' CYS . . . . . 0.461 ' SG ' ' N ' ' A' ' 127' ' ' THR . 14.4 p -83.53 -35.26 24.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.616 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' THR . . . . . 0.777 ' O ' ' HB2' ' A' ' 128' ' ' LYS . 55.3 m -53.81 -19.07 3.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.584 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . 0.777 ' HB2' ' O ' ' A' ' 127' ' ' THR . 50.8 mtpt 87.52 45.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.625 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 14.4 m -148.3 88.46 5.4 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.589 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -70.21 -14.72 34.99 Favored 'Trans proline' 0 C--N 1.306 -1.678 0 C-N-CA 122.783 2.322 . . . . 0.0 112.069 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . 0.479 ' O ' HG23 ' A' ' 135' ' ' THR . 81.1 tt0 -64.11 -41.66 97.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.563 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.54 ' HA ' ' OG1' ' A' ' 135' ' ' THR . 9.0 mp -60.42 -34.11 73.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.544 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . 0.404 ' CD1' ' O ' ' A' ' 121' ' ' VAL . 21.0 mm -56.81 -50.1 76.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.506 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 89.1 mtm180 -69.17 -34.83 75.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.436 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' THR . . . . . 0.54 ' OG1' ' HA ' ' A' ' 132' ' ' LEU . 62.5 p -67.16 -32.09 72.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.508 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 44.8 mt -69.62 -58.99 4.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.494 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' MET . . . . . 0.425 ' O ' ' OG1' ' A' ' 140' ' ' THR . 53.1 ttm -46.35 -25.49 0.65 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.527 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -68.74 -40.48 85.28 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' TRP . . . . . 0.507 ' CD1' ' N ' ' A' ' 139' ' ' TRP . 10.0 m0 -66.31 -24.4 66.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.845 0.355 . . . . 0.0 110.585 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' THR . . . . . 0.47 ' OG1' ' N ' ' A' ' 141' ' ' LEU . 22.5 p -75.54 -65.86 0.85 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.526 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . 0.47 ' N ' ' OG1' ' A' ' 140' ' ' THR . 51.2 mt -51.74 -33.64 35.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.615 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -65.77 -51.01 62.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.537 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . 0.444 ' O ' ' HB2' ' A' ' 147' ' ' ARG . 5.7 t80 -66.8 -38.93 87.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.567 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 1.6 tp -70.98 -35.57 72.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.596 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 59.1 ttp180 -83.03 -10.61 58.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.592 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -112.03 -4.67 14.42 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.527 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . 1.154 ' O ' ' N ' ' A' ' 149' ' ' LEU . 12.2 mtp180 -142.14 -110.93 0.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.55 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . 0.697 ' O ' ' N ' ' A' ' 152' ' ' ILE . 1.0 OUTLIER -15.28 -27.81 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.539 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . 1.154 ' N ' ' O ' ' A' ' 147' ' ' ARG . 47.1 tp -49.07 -56.36 9.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.541 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -63.91 -50.59 59.88 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 151' ' ' TRP . . . . . . . . . . . . . 8.8 m95 -66.24 -55.82 14.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.79 0.329 . . . . 0.0 110.581 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 152' ' ' ILE . . . . . 0.697 ' N ' ' O ' ' A' ' 148' ' ' LEU . 10.3 tt -51.42 -34.24 15.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.546 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . 0.414 ' N ' HG22 ' A' ' 152' ' ' ILE . 56.4 tt0 -67.47 -31.23 71.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.593 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -89.25 -4.4 58.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.544 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -97.55 0.74 47.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.536 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 83.77 24.63 48.92 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 89.84 -160.32 28.61 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 158' ' ' TRP . . . . . 0.416 ' HE1' HG21 ' A' ' 19' ' ' ILE . 31.7 m95 -73.99 -5.6 42.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.829 0.347 . . . . 0.0 110.561 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -60.93 -42.42 98.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.578 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -54.37 -32.2 51.74 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 2.1 tt -63.01 -53.98 45.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.755 0.312 . . . . 0.0 110.547 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 50.4 tp -67.19 -31.0 71.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.532 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 20.8 t -66.83 -26.21 66.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.542 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 164' ' ' TYR . . . . . 0.423 ' C ' ' H ' ' A' ' 166' ' ' GLY . 91.7 t80 -76.71 -42.66 40.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.565 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -71.58 47.89 0.14 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.574 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 166' ' ' GLY . . . . . 0.423 ' H ' ' C ' ' A' ' 164' ' ' TYR . . . -130.84 39.01 1.85 Allowed Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 167' ' ' THR . . . . . 1.013 ' OG1' ' HD2' ' A' ' 168' ' ' PRO . 0.6 OUTLIER -108.39 179.26 0.89 Allowed Pre-proline 0 C--N 1.33 -0.242 0 CA-C-O 120.917 0.389 . . . . 0.0 110.511 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 168' ' ' PRO . . . . . 1.013 ' HD2' ' OG1' ' A' ' 167' ' ' THR . 48.3 Cg_endo -72.5 -145.8 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 122.89 2.393 . . . . 0.0 112.052 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 169' ' ' THR . . . . . 0.589 ' C ' ' O ' ' A' ' 168' ' ' PRO . 18.3 p -23.1 101.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.569 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 170' ' ' TRP . . . . . 0.619 ' O ' HG23 ' A' ' 173' ' ' VAL . 33.3 p90 -64.97 -18.57 65.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.566 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 171' ' ' GLN . . . . . 0.537 ' NE2' ' OG1' ' A' ' 172' ' ' THR . 5.4 pp0? -47.25 -14.07 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.579 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 172' ' ' THR . . . . . 0.537 ' OG1' ' NE2' ' A' ' 171' ' ' GLN . 5.1 m -87.02 -29.5 21.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.587 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 173' ' ' VAL . . . . . 0.619 HG23 ' O ' ' A' ' 170' ' ' TRP . 2.0 m -72.1 -45.69 61.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.552 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 174' ' ' THR . . . . . 0.567 ' N ' ' CG2' ' A' ' 173' ' ' VAL . 24.9 m -64.52 -24.9 67.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.544 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 175' ' ' ILE . . . . . 0.42 ' O ' ' CG2' ' A' ' 175' ' ' ILE . 89.1 mt -85.78 -7.48 10.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.502 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 176' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -94.74 -59.98 1.8 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.559 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 3.2 m -62.11 -16.78 16.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.554 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 178' ' ' ALA . . . . . 0.633 ' O ' ' OG1' ' A' ' 182' ' ' THR . . . -95.54 -45.89 6.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.568 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -62.28 -26.22 67.57 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 180' ' ' VAL . . . . . 0.519 ' CG1' ' N ' ' A' ' 181' ' ' LEU . 13.6 p -86.21 -51.72 12.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.779 0.323 . . . . 0.0 110.6 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 181' ' ' LEU . . . . . 0.519 ' N ' ' CG1' ' A' ' 180' ' ' VAL . 43.2 tp -69.32 -47.98 62.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.598 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 182' ' ' THR . . . . . 0.633 ' OG1' ' O ' ' A' ' 178' ' ' ALA . 25.8 m -50.49 -51.39 47.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.56 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -47.36 -45.71 25.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.58 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 184' ' ' SER . . . . . . . . . . . . . 27.9 t -54.42 -37.92 65.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.596 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 64.0 mt -77.57 -21.74 52.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.595 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 186' ' ' THR . . . . . 0.483 ' O ' ' CG ' ' A' ' 190' ' ' LYS . 90.8 m -73.17 -44.89 59.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.581 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 187' ' ' ILE . . . . . 0.505 ' O ' ' C ' ' A' ' 188' ' ' TRP . 12.4 tt -73.7 -51.65 24.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.581 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 188' ' ' TRP . . . . . 0.505 ' C ' ' O ' ' A' ' 187' ' ' ILE . 0.2 OUTLIER -30.72 -56.95 0.21 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.563 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 8.0 mmtt -175.76 128.31 0.24 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.597 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 190' ' ' LYS . . . . . 0.483 ' CG ' ' O ' ' A' ' 186' ' ' THR . 42.6 mtmt -109.94 89.6 3.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.508 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 191' ' ' MET . . . . . . . . . . . . . 84.2 mtp -128.59 136.57 50.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.563 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.731 0 CA-C-O 117.981 -1.455 . . . . 0.0 110.968 179.985 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.767 ' O ' HD11 ' A' ' 19' ' ' ILE . 34.0 p . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.804 0.335 . . . . 0.0 110.602 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.5 m -90.6 -5.4 55.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.687 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -82.35 -50.88 8.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.691 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.545 ' CD ' ' O ' ' A' ' 18' ' ' GLN . 3.0 tm0? -68.17 -20.4 64.87 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.594 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.767 HD11 ' O ' ' A' ' 15' ' ' SER . 71.0 mt -84.56 -57.32 4.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.57 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 62.4 ttp -51.37 -36.64 44.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.537 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -67.1 -47.13 72.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.444 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 29.1 m -71.89 -5.57 35.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.493 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -81.81 -53.76 3.65 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.668 ' O ' ' CG ' ' A' ' 28' ' ' GLN . . . -78.63 -8.85 59.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.833 0.349 . . . . 0.0 110.494 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.554 ' O ' ' C ' ' A' ' 26' ' ' LEU . 29.9 tp -86.7 -81.51 0.22 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.558 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.554 ' C ' ' O ' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -26.11 -66.4 0.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.531 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.427 ' C ' ' N ' ' A' ' 29' ' ' GLY . 4.9 tp -50.58 -58.54 5.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.579 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.668 ' CG ' ' O ' ' A' ' 24' ' ' ALA . 69.6 mm-40 -46.85 -18.02 0.06 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.614 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.547 ' O ' ' N ' ' A' ' 31' ' ' ILE . . . -88.73 -72.9 1.28 Allowed Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -42.19 -18.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.834 0.35 . . . . 0.0 110.531 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.547 ' N ' ' O ' ' A' ' 29' ' ' GLY . 88.1 mt -77.07 -69.22 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.588 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.538 ' CD ' ' O ' ' A' ' 32' ' ' GLN . 0.0 OUTLIER -78.82 29.88 0.2 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.542 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.478 ' OD1' ' OE1' ' A' ' 32' ' ' GLN . 50.4 m-20 -112.81 -51.12 2.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.645 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.465 ' NH2' ' OD2' ' A' ' 71' ' ' ASP . 15.9 ptm180 -91.23 -27.13 18.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.579 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -98.75 -13.9 19.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.533 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.671 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.98 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_exo . . . . . 0 N--CA 1.493 1.452 0 CA-C-O 120.844 0.268 . . . . 0.0 111.972 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -93.68 -8.08 41.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.53 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.501 ' CD1' HE22 ' A' ' 28' ' ' GLN . 35.0 tp -105.23 67.3 0.77 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.559 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -76.32 138.86 40.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.571 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.623 ' CD2' ' N ' ' A' ' 47' ' ' LEU . 1.1 pt? . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.557 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.688 0.28 . . . . 0.0 110.591 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -86.57 -2.94 58.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.628 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 6.5 t -58.45 -40.3 82.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.562 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.2 m -81.13 -33.87 32.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.515 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.2 mmmt -50.58 -54.58 21.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.564 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 31.9 ttpt -59.98 -47.73 84.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.554 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.94 -26.46 68.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.551 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.5 t -71.34 -35.36 71.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.556 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 76.0 mt-10 -63.78 -31.79 73.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.571 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 92.9 m -64.24 -37.85 88.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.563 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 8.6 mp -75.29 -24.72 57.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.535 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.43 ' CB ' ' HZ3' ' A' ' 64' ' ' LYS . 7.9 ttpm? -84.26 -36.66 22.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.596 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.435 ' O ' ' OE2' ' A' ' 69' ' ' GLU . 99.6 mtt180 -68.5 -44.48 74.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.63 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 20.7 tt -76.46 -35.05 25.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.623 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.426 ' O ' ' CB ' ' A' ' 71' ' ' ASP . . . -61.0 -45.4 96.69 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.961 -0.855 . . . . 0.0 110.961 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -62.76 -34.32 76.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.8 0.333 . . . . 0.0 110.592 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.54 ' OE1' ' N ' ' A' ' 69' ' ' GLU . 0.3 OUTLIER -79.59 -58.49 3.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.629 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.15 -43.05 73.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.617 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.465 ' OD2' ' NH2' ' A' ' 34' ' ' ARG . 55.0 t0 -65.07 -8.76 17.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.585 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.5 t -96.38 7.18 47.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.541 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -93.13 111.44 23.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.572 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 68.9 mtt -68.24 -11.35 59.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.542 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -80.17 -67.39 0.77 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.622 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 7.9 tp -59.68 -40.4 87.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.614 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.74 -37.91 85.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.584 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 72.3 ttt180 -68.55 -45.01 73.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.51 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 55.6 mtt -54.43 -43.93 71.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.599 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.516 ' O ' HG12 ' A' ' 83' ' ' VAL . 83.7 mt -62.39 -23.71 32.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.59 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -85.97 -18.68 31.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.608 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -86.55 -15.18 40.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.635 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.621 ' O ' ' CG1' ' A' ' 83' ' ' VAL . 7.4 p -89.72 82.99 2.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.568 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 50.4 p30 -41.28 162.04 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.549 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 80.3 p -119.24 120.32 36.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.629 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 52.8 p-10 -148.67 -0.73 0.53 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.436 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.409 ' O ' HG11 ' A' ' 91' ' ' VAL . 39.1 t -175.27 86.9 0.31 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.459 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.501 ' O ' ' CB ' ' A' ' 92' ' ' PHE . 31.9 Cg_endo -67.16 -16.0 47.74 Favored 'Trans proline' 0 C--N 1.306 -1.684 0 C-N-CA 122.798 2.332 . . . . 0.0 112.049 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 17.8 ptt-85 -85.7 -35.38 20.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.488 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -77.79 -58.05 3.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.495 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.482 ' CG1' ' N ' ' A' ' 92' ' ' PHE . 10.1 p -57.02 -51.54 67.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.577 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.501 ' CB ' ' O ' ' A' ' 88' ' ' PRO . 30.4 t80 -45.7 -52.64 10.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.498 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -67.64 -30.44 70.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.521 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.736 ' NE ' ' HE1' ' A' ' 188' ' ' TRP . 24.7 ttp180 -71.3 -57.93 4.0 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.566 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.45 ' CG2' ' N ' ' A' ' 96' ' ' ALA . 27.9 m -59.51 -48.26 87.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.535 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.45 ' N ' ' CG2' ' A' ' 95' ' ' VAL . . . -54.84 -27.71 44.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.579 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -81.85 -38.98 24.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.506 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.41 ' O ' ' C ' ' A' ' 99' ' ' MET . 99.5 m-20 -63.07 -38.71 92.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.567 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' MET . . . . . 0.503 ' HB2' HH21 ' A' ' 109' ' ' ARG . 64.6 mtt -38.43 -68.86 0.14 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.552 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.594 ' CD2' ' O ' ' A' ' 100' ' ' PHE . 15.8 p90 -111.27 57.6 0.62 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.617 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.2 t -74.74 -26.76 60.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.588 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . 0.553 ' O ' ' C ' ' A' ' 103' ' ' GLY . 55.1 p-10 -155.59 -18.44 0.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.587 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.553 ' C ' ' O ' ' A' ' 102' ' ' ASP . . . -26.33 -80.73 0.01 OUTLIER Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . 0.608 ' O ' ' CG ' ' A' ' 105' ' ' PHE . 8.7 m-20 174.52 34.41 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.749 0.309 . . . . 0.0 110.504 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.608 ' CG ' ' O ' ' A' ' 104' ' ' ASN . 30.6 p90 42.69 29.14 0.15 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.543 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . 0.54 ' CG ' ' H ' ' A' ' 107' ' ' TRP . 27.2 p30 -52.28 -110.41 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.575 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' TRP . . . . . 0.54 ' H ' ' CG ' ' A' ' 106' ' ' ASN . 6.8 t90 174.58 -26.11 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.552 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . 0.44 ' O ' HG13 ' A' ' 111' ' ' VAL . . . -50.19 -42.03 40.03 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . 0.503 HH21 ' HB2' ' A' ' 99' ' ' MET . 0.0 OUTLIER -48.17 -26.04 1.74 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.779 0.323 . . . . 0.0 110.51 179.939 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.478 ' N ' ' HD3' ' A' ' 109' ' ' ARG . 34.0 t -52.65 -57.87 3.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.533 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.553 ' CG1' ' N ' ' A' ' 112' ' ' ALA . 4.8 p -45.34 -46.74 3.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.55 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.553 ' N ' ' CG1' ' A' ' 111' ' ' VAL . . . -58.09 -35.02 70.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.555 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 1.9 tt -56.92 -46.73 81.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.513 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . 0.459 ' CZ ' ' CG1' ' A' ' 110' ' ' VAL . 9.6 m-85 -57.19 -44.04 83.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.559 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 92.6 t80 -68.13 -43.36 78.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.58 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 92.9 t80 -59.26 -41.78 89.65 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.586 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -70.99 -32.55 69.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.555 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 4.9 t -48.73 -44.1 38.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.503 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.813 ' O ' ' CB ' ' A' ' 123' ' ' LYS . 56.1 mmtt -60.05 -43.55 95.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.539 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 52.2 mt -68.38 -30.6 69.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.524 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.409 ' O ' ' CD1' ' A' ' 133' ' ' ILE . 52.8 t -77.7 -53.34 14.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.57 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 70.2 mt -73.04 -40.73 64.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.553 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.813 ' CB ' ' O ' ' A' ' 119' ' ' LYS . 41.6 tptt -58.27 -41.19 83.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.539 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.466 ' O ' ' OG1' ' A' ' 127' ' ' THR . . . -75.83 -20.54 58.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.572 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 5.8 tt -64.56 -30.77 71.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.534 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' CYS . . . . . 0.479 ' HG ' ' N ' ' A' ' 127' ' ' THR . 13.9 p -84.6 -35.27 22.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.555 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' THR . . . . . 0.564 ' O ' ' CB ' ' A' ' 128' ' ' LYS . 40.4 p -54.61 -17.54 3.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.603 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . 0.564 ' CB ' ' O ' ' A' ' 127' ' ' THR . 24.4 ttpt 85.79 46.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.571 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . 0.539 ' CG2' ' OG1' ' A' ' 127' ' ' THR . 0.2 OUTLIER -148.15 86.91 5.89 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.603 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -69.3 -14.41 37.5 Favored 'Trans proline' 0 C--N 1.306 -1.669 0 C-N-CA 122.813 2.342 . . . . 0.0 112.027 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -64.6 -42.0 95.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.523 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 8.5 mp -60.1 -33.99 72.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.509 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . 0.428 HD13 HG23 ' A' ' 133' ' ' ILE . 21.5 mm -57.05 -50.08 77.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.488 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 83.6 mtp180 -69.14 -34.88 75.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.456 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 7.3 m -67.25 -31.96 72.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.504 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 44.9 mt -69.69 -58.78 4.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.564 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' MET . . . . . 0.459 ' SD ' ' NE2' ' A' ' 28' ' ' GLN . 47.0 ttp -46.44 -25.59 0.69 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.552 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -68.61 -40.49 85.88 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' TRP . . . . . 0.515 ' CD1' ' N ' ' A' ' 139' ' ' TRP . 12.7 m0 -66.34 -24.45 66.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.848 0.356 . . . . 0.0 110.565 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' THR . . . . . 0.468 ' OG1' ' N ' ' A' ' 141' ' ' LEU . 24.1 p -75.49 -65.84 0.84 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.501 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . 0.468 ' N ' ' OG1' ' A' ' 140' ' ' THR . 4.1 tp -51.77 -33.65 36.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.558 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -65.84 -51.0 62.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.5 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -66.85 -38.81 87.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.55 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 1.7 tp -71.16 -35.48 71.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.518 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 59.0 ttp180 -83.08 -10.56 58.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.539 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -112.05 -4.73 14.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.59 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . 1.152 ' O ' ' N ' ' A' ' 149' ' ' LEU . 17.1 mtp180 -142.11 -110.9 0.13 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.581 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . 0.699 ' O ' ' N ' ' A' ' 152' ' ' ILE . 1.0 OUTLIER -15.35 -27.75 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.589 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . 1.152 ' N ' ' O ' ' A' ' 147' ' ' ARG . 44.4 tp -49.04 -56.35 9.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.559 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -63.89 -50.7 59.24 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 151' ' ' TRP . . . . . . . . . . . . . 99.6 m95 -66.24 -55.91 13.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.768 0.318 . . . . 0.0 110.538 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 152' ' ' ILE . . . . . 0.699 ' N ' ' O ' ' A' ' 148' ' ' LEU . 10.3 tt -51.22 -34.33 14.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.585 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . 0.4 ' N ' HG22 ' A' ' 152' ' ' ILE . 56.3 tt0 -67.49 -31.12 71.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.61 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 154' ' ' ASP . . . . . 0.436 ' OD1' ' O ' ' A' ' 154' ' ' ASP . 51.3 t0 -89.23 -4.54 58.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.56 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -97.49 0.76 48.14 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.542 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 83.74 24.65 48.95 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 89.77 -160.36 28.73 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.946 -0.861 . . . . 0.0 110.946 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . 36.0 m95 -73.95 -5.69 42.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.793 0.33 . . . . 0.0 110.514 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -60.92 -42.36 97.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.611 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -54.54 -32.05 52.84 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 2.1 tt -63.01 -54.07 44.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.812 0.339 . . . . 0.0 110.524 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 5.9 tp -67.15 -30.94 71.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.589 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 5.3 t -66.9 -26.04 66.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.533 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 164' ' ' TYR . . . . . 0.422 ' C ' ' H ' ' A' ' 166' ' ' GLY . 93.6 t80 -76.93 -42.53 38.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.543 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -71.68 48.07 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.621 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 166' ' ' GLY . . . . . 0.422 ' H ' ' C ' ' A' ' 164' ' ' TYR . . . -131.11 39.16 1.82 Allowed Glycine 0 CA--C 1.526 0.759 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 167' ' ' THR . . . . . 1.001 ' OG1' ' HD2' ' A' ' 168' ' ' PRO . 0.6 OUTLIER -108.52 178.7 0.99 Allowed Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 120.969 0.414 . . . . 0.0 110.498 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 168' ' ' PRO . . . . . 1.001 ' HD2' ' OG1' ' A' ' 167' ' ' THR . 42.8 Cg_endo -71.45 -144.94 0.02 OUTLIER 'Trans proline' 0 C--N 1.306 -1.659 0 C-N-CA 122.754 2.302 . . . . 0.0 112.122 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 169' ' ' THR . . . . . 0.58 ' C ' ' O ' ' A' ' 168' ' ' PRO . 19.9 p -24.24 102.5 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.537 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 170' ' ' TRP . . . . . 0.622 ' O ' HG23 ' A' ' 173' ' ' VAL . 29.3 p90 -65.57 -18.54 65.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.579 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 171' ' ' GLN . . . . . 0.526 ' NE2' ' OG1' ' A' ' 172' ' ' THR . 5.4 pp0? -47.34 -14.17 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.545 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 172' ' ' THR . . . . . 0.526 ' OG1' ' NE2' ' A' ' 171' ' ' GLN . 5.0 m -86.82 -29.46 22.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.632 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 173' ' ' VAL . . . . . 0.622 HG23 ' O ' ' A' ' 170' ' ' TRP . 2.0 m -72.08 -45.74 61.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.581 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 174' ' ' THR . . . . . 0.562 ' N ' ' CG2' ' A' ' 173' ' ' VAL . 25.1 m -64.47 -25.01 67.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.598 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 175' ' ' ILE . . . . . 0.42 ' O ' ' CG2' ' A' ' 175' ' ' ILE . 88.9 mt -85.71 -7.49 10.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.607 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 176' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -94.68 -60.05 1.79 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.534 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 3.3 m -62.11 -16.7 16.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.533 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 178' ' ' ALA . . . . . 0.626 ' O ' ' OG1' ' A' ' 182' ' ' THR . . . -95.59 -45.95 6.84 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.562 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -62.34 -26.14 67.58 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 180' ' ' VAL . . . . . 0.519 ' CG1' ' N ' ' A' ' 181' ' ' LEU . 13.7 p -86.23 -51.77 12.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.886 0.374 . . . . 0.0 110.604 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 181' ' ' LEU . . . . . 0.519 ' N ' ' CG1' ' A' ' 180' ' ' VAL . 42.5 tp -69.25 -48.03 63.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.544 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 182' ' ' THR . . . . . 0.626 ' OG1' ' O ' ' A' ' 178' ' ' ALA . 26.8 m -50.54 -51.35 48.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.573 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -47.33 -45.74 24.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.562 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 184' ' ' SER . . . . . . . . . . . . . 27.5 t -54.4 -37.92 65.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.574 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 62.6 mt -77.67 -21.6 51.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.529 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 20.9 m -73.29 -44.87 58.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.557 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 187' ' ' ILE . . . . . 0.509 ' O ' ' C ' ' A' ' 188' ' ' TRP . 12.2 tt -73.68 -51.61 24.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.56 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 188' ' ' TRP . . . . . 0.736 ' HE1' ' NE ' ' A' ' 94' ' ' ARG . 7.0 t90 -30.75 -56.95 0.22 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.541 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 7.5 mmtt -175.68 128.29 0.25 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.564 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 190' ' ' LYS . . . . . . . . . . . . . 14.8 ptmt -110.0 89.6 3.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.534 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 191' ' ' MET . . . . . . . . . . . . . 84.3 mtp -128.62 136.56 50.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.503 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.693 0 CA-C-O 118.007 -1.441 . . . . 0.0 110.941 -179.99 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 1.052 ' O ' HD11 ' A' ' 19' ' ' ILE . 18.5 p . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.855 0.36 . . . . 0.0 110.545 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 57.7 m -92.58 -16.59 25.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.545 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -93.11 -47.28 7.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.536 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.6 HE22 ' CG2' ' A' ' 22' ' ' THR . 3.2 tm0? -59.73 -31.32 69.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.416 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 1.052 HD11 ' O ' ' A' ' 15' ' ' SER . 68.2 mt -75.66 -51.67 20.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.511 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 52.0 ttp -56.9 -36.41 70.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.624 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -67.92 -44.05 77.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.638 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.6 ' CG2' HE22 ' A' ' 18' ' ' GLN . 41.1 p -72.73 -13.48 61.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.58 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -74.86 -54.28 5.92 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.34 -10.33 59.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.756 0.313 . . . . 0.0 110.588 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.53 ' O ' ' C ' ' A' ' 26' ' ' LEU . 6.6 tt -86.56 -78.4 0.29 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.556 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.53 ' C ' ' O ' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -29.17 -64.4 0.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.551 -179.952 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.419 ' O ' HG13 ' A' ' 31' ' ' ILE . 56.8 mt -52.47 -56.79 12.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.52 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 7.5 tp-100 -48.4 -18.02 0.2 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.575 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.532 ' O ' ' N ' ' A' ' 31' ' ' ILE . . . -88.63 -72.4 1.28 Allowed Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -42.51 -18.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.834 0.349 . . . . 0.0 110.58 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.532 ' N ' ' O ' ' A' ' 29' ' ' GLY . 94.2 mt -77.0 -69.02 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.568 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 43.7 tt0 -79.08 29.83 0.21 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.555 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.45 ' H ' ' C ' ' A' ' 31' ' ' ILE . 97.9 m-20 -112.77 -51.17 2.85 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.548 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 -91.2 -26.98 18.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.528 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -99.21 -12.78 20.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.57 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.656 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 179.994 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo . . . . . 0 N--CA 1.492 1.417 0 CA-C-O 120.771 0.238 . . . . 0.0 112.106 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 63.2 mt-10 -88.61 -12.1 43.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.637 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.678 ' CD2' ' N ' ' A' ' 45' ' ' LEU . 0.4 OUTLIER -100.48 67.23 1.3 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.576 -179.946 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.403 ' O ' ' HB2' ' A' ' 47' ' ' LEU . . . -76.88 141.65 40.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.566 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.403 ' HB2' ' O ' ' A' ' 46' ' ' ALA . 23.5 tp . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.535 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.772 0.32 . . . . 0.0 110.614 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -86.4 -1.91 57.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.585 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 35.0 t -59.66 -39.71 85.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.603 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 41.0 p -82.7 -33.69 27.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.542 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -50.06 -54.81 17.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.554 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 31.0 ttpt -59.76 -47.99 83.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.621 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 6.5 mt -61.68 -26.25 67.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.564 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.6 t -71.44 -35.28 70.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.576 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -64.04 -31.57 72.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.538 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 94.4 m -64.44 -37.67 88.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.593 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 11.0 mp -75.5 -24.54 56.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.522 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.1 ttpm? -84.32 -36.53 22.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.625 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.439 ' O ' ' OE2' ' A' ' 69' ' ' GLU . 99.7 mtt180 -68.64 -44.45 74.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.558 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 20.7 tt -76.48 -35.03 25.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.54 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.426 ' O ' ' CB ' ' A' ' 71' ' ' ASP . . . -61.04 -45.48 96.5 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.419 ' OD1' ' O ' ' A' ' 68' ' ' ASP . 67.8 t0 -62.69 -34.38 77.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.765 0.317 . . . . 0.0 110.54 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.542 ' OE1' ' N ' ' A' ' 69' ' ' GLU . 0.3 OUTLIER -79.6 -58.47 3.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.622 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.15 -43.0 73.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.575 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.426 ' CB ' ' O ' ' A' ' 67' ' ' GLY . 51.0 t0 -65.12 -8.71 17.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.546 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.4 t -96.41 7.14 47.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.63 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -93.05 111.5 23.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.542 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 58.4 mtt -68.27 -11.34 59.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.569 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -80.22 -67.38 0.77 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.591 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.7 tp -59.73 -40.3 87.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.575 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 14.4 tm0? -61.8 -37.96 86.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.571 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 75.3 ttt180 -68.41 -44.96 73.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.598 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 65.2 mtp -54.51 -43.86 72.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.617 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.511 ' O ' HG12 ' A' ' 83' ' ' VAL . 84.8 mt -62.49 -23.6 32.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.569 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -86.12 -18.67 31.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.547 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -86.54 -15.36 40.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.577 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.615 ' O ' ' CG1' ' A' ' 83' ' ' VAL . 7.7 p -89.49 82.83 2.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.567 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.422 ' O ' ' O ' ' A' ' 83' ' ' VAL . 40.8 p-10 -40.62 162.52 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.581 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 23.0 p -119.87 119.89 34.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.56 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -148.62 -0.65 0.54 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.462 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.429 ' O ' HG11 ' A' ' 91' ' ' VAL . 36.3 t -175.51 87.42 0.3 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.493 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.512 ' O ' ' CB ' ' A' ' 92' ' ' PHE . 34.5 Cg_endo -67.76 -16.21 45.74 Favored 'Trans proline' 0 C--N 1.306 -1.702 0 C-N-CA 122.757 2.305 . . . . 0.0 112.068 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 36.8 ptt-85 -85.14 -35.74 21.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.497 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -78.0 -57.51 3.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.469 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.476 ' CG1' ' N ' ' A' ' 92' ' ' PHE . 9.5 p -57.18 -51.42 69.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.548 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.512 ' CB ' ' O ' ' A' ' 88' ' ' PRO . 84.4 t80 -46.09 -52.31 12.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.481 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -67.56 -30.67 70.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.508 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 16.1 tpp180 -71.22 -58.14 3.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.539 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.448 ' CG2' ' N ' ' A' ' 96' ' ' ALA . 27.1 m -59.14 -48.22 87.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.495 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.448 ' N ' ' CG2' ' A' ' 95' ' ' VAL . . . -54.96 -27.69 45.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.532 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -81.94 -38.87 24.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.518 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 99' ' ' MET . 99.9 m-20 -63.16 -38.7 92.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.583 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' MET . . . . . 0.503 ' HB2' HH21 ' A' ' 109' ' ' ARG . 61.9 mtt -38.3 -68.94 0.13 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.551 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.6 ' CD2' ' O ' ' A' ' 100' ' ' PHE . 16.4 p90 -111.28 57.64 0.62 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.594 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.2 t -74.8 -26.79 59.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.551 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . 0.533 ' O ' ' C ' ' A' ' 103' ' ' GLY . 55.6 p-10 -155.63 -18.36 0.11 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.543 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.533 ' C ' ' O ' ' A' ' 102' ' ' ASP . . . -26.28 -80.73 0.01 OUTLIER Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . 0.605 ' O ' ' CG ' ' A' ' 105' ' ' PHE . 28.3 t-20 174.53 34.34 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.784 0.326 . . . . 0.0 110.605 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.605 ' CG ' ' O ' ' A' ' 104' ' ' ASN . 27.8 p90 42.7 29.0 0.14 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.614 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . 0.54 ' CG ' ' H ' ' A' ' 107' ' ' TRP . 28.4 p30 -52.08 -110.47 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.609 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' TRP . . . . . 0.54 ' H ' ' CG ' ' A' ' 106' ' ' ASN . 6.7 t90 174.61 -26.14 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.572 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . 0.433 ' O ' HG13 ' A' ' 111' ' ' VAL . . . -50.12 -42.08 39.49 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . 0.503 HH21 ' HB2' ' A' ' 99' ' ' MET . 0.0 OUTLIER -48.15 -26.05 1.73 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.775 0.321 . . . . 0.0 110.544 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.482 HG23 ' NE1' ' A' ' 107' ' ' TRP . 37.7 t -52.62 -57.86 3.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.561 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.555 ' CG1' ' N ' ' A' ' 112' ' ' ALA . 4.6 p -45.28 -46.77 3.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.563 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.555 ' N ' ' CG1' ' A' ' 111' ' ' VAL . . . -58.13 -34.98 70.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.592 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 1.9 tt -56.94 -46.68 81.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.584 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . 0.43 ' CZ ' ' CG1' ' A' ' 110' ' ' VAL . 10.2 m-85 -57.22 -43.99 83.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.616 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 90.7 t80 -68.15 -43.53 78.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.52 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 92.5 t80 -59.02 -41.92 88.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.566 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -70.93 -32.61 69.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.518 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 5.3 t -48.56 -44.23 36.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.605 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.82 ' O ' ' CB ' ' A' ' 123' ' ' LYS . 56.2 mmtt -59.98 -43.62 95.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.516 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 53.1 mt -68.03 -31.32 70.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.51 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 78.2 t -77.06 -53.66 14.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.523 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 68.4 mt -72.86 -40.91 65.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.515 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.82 ' CB ' ' O ' ' A' ' 119' ' ' LYS . 88.8 tttt -57.99 -41.11 82.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.567 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -75.73 -21.88 57.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.516 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 6.5 tt -63.04 -32.3 73.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.599 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 9.6 t -83.24 -35.48 25.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.605 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' THR . . . . . 0.762 ' O ' ' HB2' ' A' ' 128' ' ' LYS . 53.8 m -53.71 -19.23 3.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.574 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . 0.762 ' HB2' ' O ' ' A' ' 127' ' ' THR . 54.4 mttp 87.51 45.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.531 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 16.8 m -148.4 87.89 5.52 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.598 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -69.56 -15.04 37.62 Favored 'Trans proline' 0 C--N 1.304 -1.816 0 C-N-CA 122.799 2.333 . . . . 0.0 112.029 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -63.78 -41.73 97.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.498 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 9.3 mp -60.55 -34.18 73.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.481 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 99.7 mt -56.79 -50.06 76.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.507 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . 0.422 ' O ' ' HG3' ' A' ' 137' ' ' MET . 79.4 mtp85 -69.24 -34.83 75.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.457 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 7.1 m -67.24 -31.91 72.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.484 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 47.2 mt -69.68 -58.76 4.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.601 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' MET . . . . . 0.48 ' C ' ' SD ' ' A' ' 137' ' ' MET . 0.0 OUTLIER -46.54 -25.46 0.69 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.504 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -68.73 -40.4 85.42 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.911 -0.875 . . . . 0.0 110.911 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 139' ' ' TRP . . . . . 0.511 ' CD1' ' N ' ' A' ' 139' ' ' TRP . 13.2 m0 -66.36 -24.46 66.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.809 0.338 . . . . 0.0 110.529 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 140' ' ' THR . . . . . 0.503 ' OG1' ' N ' ' A' ' 141' ' ' LEU . 15.8 p -75.49 -65.86 0.84 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.53 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . 1.266 ' H ' ' N ' ' A' ' 141' ' ' LEU . 52.5 mt -51.76 -33.7 36.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.511 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -65.79 -50.99 62.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.5 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . 0.442 ' O ' ' HB2' ' A' ' 147' ' ' ARG . 5.6 t80 -66.84 -38.86 87.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.612 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 2.0 tp -71.09 -35.47 71.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.531 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 59.2 ttp180 -83.07 -10.6 58.62 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.537 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -111.97 -4.67 14.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.561 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . 1.152 ' O ' ' N ' ' A' ' 149' ' ' LEU . 12.2 mtp180 -142.17 -110.98 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.537 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . 0.697 ' O ' ' N ' ' A' ' 152' ' ' ILE . 1.0 OUTLIER -15.37 -27.73 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.516 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . 1.152 ' N ' ' O ' ' A' ' 147' ' ' ARG . 42.4 tp -49.18 -56.26 9.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.509 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -63.97 -50.61 59.61 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 151' ' ' TRP . . . . . . . . . . . . . 99.9 m95 -66.32 -55.8 14.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.764 0.316 . . . . 0.0 110.544 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 152' ' ' ILE . . . . . 0.697 ' N ' ' O ' ' A' ' 148' ' ' LEU . 10.3 tt -51.28 -34.26 14.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.566 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . 0.407 ' N ' HG22 ' A' ' 152' ' ' ILE . 11.9 tp-100 -67.51 -31.3 71.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.561 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -89.07 -4.52 58.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.536 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -97.47 0.73 48.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.594 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 83.64 24.75 49.02 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 89.75 -160.32 28.73 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 158' ' ' TRP . . . . . 0.415 ' HE1' HG23 ' A' ' 19' ' ' ILE . 32.2 m95 -73.98 -5.62 42.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.775 0.322 . . . . 0.0 110.513 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -60.91 -42.42 98.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.564 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -54.41 -32.18 51.98 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 2.0 tt -62.95 -54.06 44.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.804 0.335 . . . . 0.0 110.555 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 45.6 tp -67.09 -30.98 71.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.617 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 4.9 t -66.87 -26.12 66.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.599 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 164' ' ' TYR . . . . . 0.42 ' C ' ' H ' ' A' ' 166' ' ' GLY . 93.9 t80 -76.79 -42.68 39.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.52 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -71.53 48.18 0.14 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.569 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 166' ' ' GLY . . . . . 0.42 ' H ' ' C ' ' A' ' 164' ' ' TYR . . . -131.36 39.27 1.8 Allowed Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 167' ' ' THR . . . . . 1.039 ' OG1' ' HD2' ' A' ' 168' ' ' PRO . 0.6 OUTLIER -108.71 179.25 0.88 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 120.898 0.38 . . . . 0.0 110.584 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 168' ' ' PRO . . . . . 1.039 ' HD2' ' OG1' ' A' ' 167' ' ' THR . 46.3 Cg_endo -71.98 -146.44 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.733 0 C-N-CA 122.836 2.357 . . . . 0.0 112.091 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 169' ' ' THR . . . . . 0.592 ' C ' ' O ' ' A' ' 168' ' ' PRO . 38.1 p -22.91 102.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.502 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 170' ' ' TRP . . . . . 0.612 ' O ' HG23 ' A' ' 173' ' ' VAL . 26.0 p90 -65.3 -18.63 65.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.552 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 171' ' ' GLN . . . . . 0.54 ' NE2' ' OG1' ' A' ' 172' ' ' THR . 5.4 pp0? -46.9 -14.23 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.558 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 172' ' ' THR . . . . . 0.54 ' OG1' ' NE2' ' A' ' 171' ' ' GLN . 96.9 m -87.0 -29.53 21.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.574 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 173' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 170' ' ' TRP . 2.0 m -72.05 -45.65 62.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.639 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 174' ' ' THR . . . . . 0.567 ' N ' ' CG2' ' A' ' 173' ' ' VAL . 24.7 m -64.59 -24.89 67.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.553 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 175' ' ' ILE . . . . . 0.425 HG23 ' O ' ' A' ' 172' ' ' THR . 1.6 tt -85.8 -7.5 10.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.561 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 176' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -94.67 -60.13 1.77 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.546 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 3.2 m -62.14 -16.63 16.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.604 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 178' ' ' ALA . . . . . 0.629 ' O ' ' OG1' ' A' ' 182' ' ' THR . . . -95.63 -45.88 6.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.485 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -62.39 -26.05 67.56 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 180' ' ' VAL . . . . . 0.521 ' CG1' ' N ' ' A' ' 181' ' ' LEU . 13.7 p -86.31 -51.78 12.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.856 0.36 . . . . 0.0 110.497 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 181' ' ' LEU . . . . . 0.521 ' N ' ' CG1' ' A' ' 180' ' ' VAL . 60.0 tp -69.27 -47.99 63.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.57 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 182' ' ' THR . . . . . 0.629 ' OG1' ' O ' ' A' ' 178' ' ' ALA . 25.9 m -50.48 -51.36 47.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.602 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -47.35 -45.68 25.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.599 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 184' ' ' SER . . . . . . . . . . . . . 27.9 t -54.57 -37.76 65.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.587 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 64.2 mt -77.68 -21.69 51.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.551 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 20.7 m -73.24 -44.83 58.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.59 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 187' ' ' ILE . . . . . 0.505 ' O ' ' C ' ' A' ' 188' ' ' TRP . 12.5 tt -73.73 -51.66 23.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.584 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 188' ' ' TRP . . . . . 0.505 ' C ' ' O ' ' A' ' 187' ' ' ILE . 0.2 OUTLIER -30.63 -56.99 0.21 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.622 179.936 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 7.8 mmtt -175.75 128.3 0.24 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.588 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 190' ' ' LYS . . . . . . . . . . . . . 14.2 ptmt -109.89 89.55 3.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.573 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 191' ' ' MET . . . . . . . . . . . . . 83.1 mtp -128.63 136.6 50.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.499 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.719 0 CA-C-O 118.031 -1.427 . . . . 0.0 110.957 179.991 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 1.181 ' O ' HD11 ' A' ' 19' ' ' ILE . 5.8 p . . . . . 0 N--CA 1.458 -0.07 0 CA-C-O 120.823 0.344 . . . . 0.0 110.652 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.466 ' H ' ' HB2' ' A' ' 15' ' ' SER . 56.4 m -98.73 -16.46 18.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.617 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -83.49 -48.46 10.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.625 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 58.2 tt0 -66.4 -22.54 66.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.609 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 1.181 HD11 ' O ' ' A' ' 15' ' ' SER . 69.0 mt -82.11 -56.13 6.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.613 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 60.8 ttp -52.38 -36.87 54.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.451 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 27.4 mmtp -66.91 -46.67 74.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.558 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 56.6 m -71.95 -7.44 48.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.582 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -79.91 -54.04 4.03 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.563 ' O ' ' OE1' ' A' ' 28' ' ' GLN . . . -78.43 -9.11 59.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.782 0.325 . . . . 0.0 110.516 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.554 ' O ' ' C ' ' A' ' 26' ' ' LEU . 5.3 tt -86.71 -81.14 0.23 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.562 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.554 ' C ' ' O ' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -26.47 -65.95 0.06 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.53 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.543 ' O ' HG12 ' A' ' 31' ' ' ILE . 11.0 mp -51.08 -58.02 7.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.577 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.585 ' N ' ' OE1' ' A' ' 28' ' ' GLN . 4.1 mp0 -47.38 -17.93 0.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.529 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.543 ' O ' ' N ' ' A' ' 31' ' ' ILE . . . -88.76 -72.87 1.28 Allowed Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 42.8 t80 -42.03 -18.84 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.727 0.299 . . . . 0.0 110.579 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.543 HG12 ' O ' ' A' ' 27' ' ' LEU . 31.7 mm -76.97 -69.3 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.532 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.414 ' CD ' ' O ' ' A' ' 32' ' ' GLN . 0.0 OUTLIER -78.82 30.07 0.2 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.59 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.449 ' H ' ' C ' ' A' ' 31' ' ' ILE . 64.8 t0 -112.96 -50.97 2.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.63 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.486 ' NH2' ' OD2' ' A' ' 71' ' ' ASP . 15.9 ptm180 -91.4 -27.0 18.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.586 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -99.23 -12.64 20.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.531 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.637 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.975 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo . . . . . 0 N--CA 1.491 1.373 0 CA-C-O 120.769 0.237 . . . . 0.0 112.105 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -91.33 -13.54 32.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.517 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.737 ' CD2' ' N ' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -99.7 68.28 1.53 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.622 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.504 ' O ' ' CG ' ' A' ' 47' ' ' LEU . . . -75.33 137.27 41.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.634 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.504 ' CG ' ' O ' ' A' ' 46' ' ' ALA . 1.1 mt . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.583 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.723 ' OD1' ' O ' ' A' ' 53' ' ' ASP . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.815 0.34 . . . . 0.0 110.487 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -72.88 -6.56 45.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.566 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.414 ' OG ' ' OD1' ' A' ' 53' ' ' ASP . 84.5 p -57.68 -39.02 76.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.562 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.427 HG22 ' O ' ' A' ' 53' ' ' ASP . 9.0 t -82.67 -33.85 27.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.525 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 55.2 tttp -50.46 -54.59 20.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.546 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 29.5 ttpt -60.19 -47.46 85.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.576 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.15 -26.38 68.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.577 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 6.1 t -71.3 -35.46 71.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.548 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -63.72 -31.77 73.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.556 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 93.7 m -64.27 -37.78 88.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.59 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 10.6 mp -75.35 -24.69 57.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.572 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -84.21 -36.68 22.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.589 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.435 ' O ' ' OE2' ' A' ' 69' ' ' GLU . 94.9 mtt180 -68.47 -44.44 74.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.632 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 20.4 tt -76.47 -35.07 25.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.55 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.426 ' O ' ' CB ' ' A' ' 71' ' ' ASP . . . -61.08 -45.36 96.74 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.969 -0.853 . . . . 0.0 110.969 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.461 ' OD1' ' O ' ' A' ' 68' ' ' ASP . 67.7 t0 -62.79 -34.32 77.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.767 0.317 . . . . 0.0 110.512 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.545 ' OE1' ' N ' ' A' ' 69' ' ' GLU . 0.3 OUTLIER -79.57 -58.55 3.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.584 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.3 mt -55.13 -43.07 73.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.549 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.486 ' OD2' ' NH2' ' A' ' 34' ' ' ARG . 53.8 t0 -65.08 -8.71 17.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.561 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.5 t -96.4 7.03 47.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.574 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -92.97 111.5 23.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.485 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 80.3 mmm -68.29 -11.26 59.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.535 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 -80.34 -67.22 0.79 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.578 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 58.4 tp -59.82 -40.34 88.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.627 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -61.76 -37.87 85.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.585 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 74.6 ttt180 -68.5 -44.93 73.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.568 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 74.2 mtp -54.5 -43.99 72.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.55 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.413 ' O ' ' CG1' ' A' ' 83' ' ' VAL . 87.0 mt -62.28 -23.8 33.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.616 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -85.91 -18.72 31.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.623 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -86.5 -15.32 40.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.587 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.419 ' O ' ' CG2' ' A' ' 83' ' ' VAL . 1.7 p -89.5 82.89 2.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.494 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.422 ' N ' ' OD1' ' A' ' 84' ' ' ASP . 33.1 p-10 -41.08 162.08 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.583 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.412 HG23 ' HZ1' ' A' ' 123' ' ' LYS . 77.9 p -119.23 119.77 35.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.586 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 53.3 p-10 -148.18 -0.79 0.58 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.447 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.485 ' HG ' ' H ' ' A' ' 90' ' ' GLU . 33.2 t -175.42 87.32 0.3 Allowed Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.489 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.502 ' O ' ' CB ' ' A' ' 92' ' ' PHE . 33.3 Cg_endo -67.54 -16.12 46.46 Favored 'Trans proline' 0 C--N 1.304 -1.764 0 C-N-CA 122.825 2.35 . . . . 0.0 112.103 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 34.4 ptt-85 -84.91 -36.3 21.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.563 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.485 ' H ' ' HG ' ' A' ' 87' ' ' SER . 95.6 mt-10 -77.21 -58.75 3.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.529 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.489 ' CG1' ' N ' ' A' ' 92' ' ' PHE . 10.3 p -55.99 -52.19 52.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.459 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.502 ' CB ' ' O ' ' A' ' 88' ' ' PRO . 81.2 t80 -45.31 -52.83 9.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.556 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 81.1 t80 -67.72 -30.15 69.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.488 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.712 ' NE ' ' HE1' ' A' ' 188' ' ' TRP . 27.2 ttp180 -71.74 -57.25 4.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.544 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.447 ' CG2' ' N ' ' A' ' 96' ' ' ALA . 26.4 m -60.19 -47.97 89.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.48 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.447 ' N ' ' CG2' ' A' ' 95' ' ' VAL . . . -54.99 -27.74 46.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.542 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -81.72 -38.91 25.04 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.578 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 99' ' ' MET . 99.3 m-20 -63.21 -38.64 91.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.546 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' MET . . . . . 0.513 ' HB2' HH21 ' A' ' 109' ' ' ARG . 65.0 mtt -38.36 -68.88 0.14 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.567 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.605 ' CD2' ' O ' ' A' ' 100' ' ' PHE . 16.3 p90 -111.24 57.53 0.62 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.604 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.2 t -74.71 -26.78 60.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.575 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . 0.538 ' O ' ' C ' ' A' ' 103' ' ' GLY . 54.3 p-10 -155.61 -18.35 0.11 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.512 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.538 ' C ' ' O ' ' A' ' 102' ' ' ASP . . . -26.36 -80.7 0.01 OUTLIER Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . 0.605 ' O ' ' CG ' ' A' ' 105' ' ' PHE . 28.7 t-20 174.52 34.4 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.821 0.343 . . . . 0.0 110.617 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.605 ' CG ' ' O ' ' A' ' 104' ' ' ASN . 27.5 p90 42.58 29.13 0.14 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.577 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . 0.54 ' CG ' ' H ' ' A' ' 107' ' ' TRP . 27.6 p30 -52.1 -110.45 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.542 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' TRP . . . . . 0.54 ' H ' ' CG ' ' A' ' 106' ' ' ASN . 6.8 t90 174.57 -26.16 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.534 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . 0.442 ' O ' HG13 ' A' ' 111' ' ' VAL . . . -50.17 -42.12 39.96 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . 0.513 HH21 ' HB2' ' A' ' 99' ' ' MET . 0.0 OUTLIER -48.13 -26.06 1.72 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.762 0.315 . . . . 0.0 110.527 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.476 HG23 ' NE1' ' A' ' 107' ' ' TRP . 36.6 t -52.61 -57.88 3.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.481 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.557 ' CG1' ' N ' ' A' ' 112' ' ' ALA . 4.7 p -45.33 -46.73 3.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.538 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.557 ' N ' ' CG1' ' A' ' 111' ' ' VAL . . . -58.07 -35.04 70.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.556 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.1 tt -56.94 -46.72 81.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.513 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . 0.445 ' CZ ' ' CG1' ' A' ' 110' ' ' VAL . 9.9 m-85 -57.19 -44.07 83.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.577 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 91.9 t80 -67.98 -43.58 78.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.57 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 92.5 t80 -59.11 -41.85 89.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.643 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -70.94 -32.52 69.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.575 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 4.8 t -48.62 -44.25 37.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.531 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.816 ' O ' ' CB ' ' A' ' 123' ' ' LYS . 54.9 mmtt -60.0 -43.66 95.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.54 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 55.2 mt -68.08 -31.06 70.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.547 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.413 ' O ' ' CD1' ' A' ' 133' ' ' ILE . 57.7 t -77.28 -53.54 14.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.546 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 69.7 mt -72.93 -40.83 65.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.547 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.816 ' CB ' ' O ' ' A' ' 119' ' ' LYS . 64.4 tttm -58.13 -41.09 82.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.572 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.517 ' O ' ' OG1' ' A' ' 127' ' ' THR . . . -75.88 -21.17 57.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.602 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 6.2 tt -63.89 -31.47 72.66 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.574 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 8.4 t -84.35 -34.77 23.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.573 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' THR . . . . . 0.742 ' O ' ' HB2' ' A' ' 128' ' ' LYS . 33.2 p -54.22 -18.89 4.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.559 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . 0.742 ' HB2' ' O ' ' A' ' 127' ' ' THR . 17.6 mtpp 87.56 44.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.594 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . 0.487 ' CG2' ' OG1' ' A' ' 127' ' ' THR . 0.3 OUTLIER -148.11 88.23 5.53 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.585 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -70.08 -14.93 35.65 Favored 'Trans proline' 0 C--N 1.305 -1.715 0 C-N-CA 122.736 2.291 . . . . 0.0 112.063 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -63.69 -42.26 98.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.516 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 8.4 mp -59.79 -34.11 72.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.538 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . 0.413 ' CD1' ' O ' ' A' ' 121' ' ' VAL . 22.3 mm -56.86 -50.23 76.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.482 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . 0.455 HH22 ' HB1' ' A' ' 46' ' ' ALA . 92.0 mtt-85 -69.01 -34.91 76.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.529 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 14.6 m -67.11 -32.04 72.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.513 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 45.3 mt -69.61 -58.88 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.573 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' MET . . . . . 0.43 ' O ' ' OG1' ' A' ' 140' ' ' THR . 3.8 ptt? -46.46 -25.44 0.67 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.552 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -68.65 -40.49 85.69 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -66.29 -24.46 66.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.872 0.367 . . . . 0.0 110.584 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 140' ' ' THR . . . . . 0.469 ' OG1' ' N ' ' A' ' 141' ' ' LEU . 23.2 p -75.58 -65.82 0.85 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.538 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . 0.469 ' N ' ' OG1' ' A' ' 140' ' ' THR . 52.5 mt -51.75 -33.68 35.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.569 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 43.3 t0 -65.68 -51.04 62.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.591 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . 0.489 ' O ' ' HB2' ' A' ' 147' ' ' ARG . 35.4 t80 -66.79 -38.91 87.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.586 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 1.8 tp -71.13 -35.49 71.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.535 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 58.7 ttp180 -83.01 -10.65 58.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.538 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -112.02 -4.56 14.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.566 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . 1.154 ' O ' ' N ' ' A' ' 149' ' ' LEU . 25.9 mmt180 -142.18 -110.85 0.13 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.599 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . 0.694 ' O ' ' N ' ' A' ' 152' ' ' ILE . 1.1 mm? -15.36 -27.77 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.568 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . 1.154 ' N ' ' O ' ' A' ' 147' ' ' ARG . 48.5 tp -49.11 -56.31 9.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.581 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -63.92 -50.6 59.81 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 151' ' ' TRP . . . . . . . . . . . . . 99.5 m95 -66.31 -55.81 14.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.719 0.295 . . . . 0.0 110.555 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 152' ' ' ILE . . . . . 0.694 ' N ' ' O ' ' A' ' 148' ' ' LEU . 10.7 tt -51.32 -34.29 14.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.524 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . 0.401 ' N ' HG22 ' A' ' 152' ' ' ILE . 58.3 tt0 -67.52 -31.19 71.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.539 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 53.7 t0 -89.17 -4.51 58.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.588 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -97.58 0.86 48.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.597 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 83.64 24.6 49.51 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 89.86 -160.25 28.54 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.866 -0.893 . . . . 0.0 110.866 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . 33.2 m95 -73.93 -5.71 42.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.842 0.353 . . . . 0.0 110.583 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -60.91 -42.44 98.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.557 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -54.48 -32.16 52.44 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 2.2 tt -62.9 -54.06 44.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.785 0.326 . . . . 0.0 110.559 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 47.4 tp -67.15 -30.96 71.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.55 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 21.1 t -66.92 -26.13 66.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.54 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 164' ' ' TYR . . . . . 0.42 ' C ' ' H ' ' A' ' 166' ' ' GLY . 92.8 t80 -76.87 -42.55 39.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.564 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -71.59 48.2 0.14 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.619 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 166' ' ' GLY . . . . . 0.42 ' H ' ' C ' ' A' ' 164' ' ' TYR . . . -131.34 39.44 1.77 Allowed Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 167' ' ' THR . . . . . 1.036 ' OG1' ' HD2' ' A' ' 168' ' ' PRO . 0.6 OUTLIER -108.78 179.15 0.89 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 120.876 0.37 . . . . 0.0 110.539 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 168' ' ' PRO . . . . . 1.036 ' HD2' ' OG1' ' A' ' 167' ' ' THR . 44.4 Cg_endo -71.83 -145.77 0.02 OUTLIER 'Trans proline' 0 C--N 1.304 -1.783 0 C-N-CA 122.837 2.358 . . . . 0.0 112.113 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 169' ' ' THR . . . . . 0.585 ' C ' ' O ' ' A' ' 168' ' ' PRO . 29.9 p -23.72 102.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.558 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 170' ' ' TRP . . . . . 0.616 ' O ' HG23 ' A' ' 173' ' ' VAL . 28.6 p90 -65.21 -18.58 65.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.606 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 171' ' ' GLN . . . . . 0.535 ' NE2' ' OG1' ' A' ' 172' ' ' THR . 5.4 pp0? -46.95 -14.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.542 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 172' ' ' THR . . . . . 0.535 ' OG1' ' NE2' ' A' ' 171' ' ' GLN . 98.3 m -86.92 -29.51 22.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.598 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 173' ' ' VAL . . . . . 0.616 HG23 ' O ' ' A' ' 170' ' ' TRP . 2.1 m -72.14 -45.65 61.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.557 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 174' ' ' THR . . . . . 0.568 ' N ' ' CG2' ' A' ' 173' ' ' VAL . 25.8 m -64.5 -24.89 67.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.596 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 175' ' ' ILE . . . . . 0.417 ' O ' ' CG2' ' A' ' 175' ' ' ILE . 89.5 mt -85.83 -7.42 10.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.612 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 176' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -94.69 -60.06 1.79 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.55 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 3.1 m -62.03 -16.79 16.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.581 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 178' ' ' ALA . . . . . 0.639 ' O ' ' OG1' ' A' ' 182' ' ' THR . . . -95.54 -45.87 6.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.537 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -62.37 -26.18 67.67 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 180' ' ' VAL . . . . . 0.517 ' CG1' ' N ' ' A' ' 181' ' ' LEU . 13.6 p -86.13 -51.76 12.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.889 0.376 . . . . 0.0 110.607 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 181' ' ' LEU . . . . . 0.517 ' N ' ' CG1' ' A' ' 180' ' ' VAL . 45.0 tp -69.31 -48.01 62.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.563 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 182' ' ' THR . . . . . 0.639 ' OG1' ' O ' ' A' ' 178' ' ' ALA . 24.8 m -50.45 -51.46 46.58 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.585 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -47.32 -45.67 24.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.571 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 184' ' ' SER . . . . . . . . . . . . . 27.7 t -54.5 -37.88 65.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.527 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 62.6 mt -77.63 -21.64 51.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.675 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 21.5 m -73.24 -44.87 58.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.597 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 187' ' ' ILE . . . . . 0.503 ' O ' ' C ' ' A' ' 188' ' ' TRP . 12.3 tt -73.7 -51.67 23.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.548 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 188' ' ' TRP . . . . . 0.712 ' HE1' ' NE ' ' A' ' 94' ' ' ARG . 6.7 t90 -30.71 -56.86 0.21 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.59 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 7.6 mmtt -175.83 128.25 0.24 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.556 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 190' ' ' LYS . . . . . . . . . . . . . 14.2 ptmt -109.88 89.52 3.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.575 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 191' ' ' MET . . . . . . . . . . . . . 93.7 mtp -128.56 136.62 50.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.618 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.769 0 CA-C-O 117.981 -1.455 . . . . 0.0 110.944 179.996 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.501 ' O ' HD11 ' A' ' 19' ' ' ILE . 13.9 p . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.832 0.349 . . . . 0.0 110.605 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.1 m -85.13 -2.89 58.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.585 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.413 ' HA ' ' OE1' ' A' ' 17' ' ' GLU . 66.7 mm-40 -87.96 -48.19 7.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.591 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 68.4 tp60 -68.17 -22.68 64.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.63 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.501 HD11 ' O ' ' A' ' 15' ' ' SER . 69.4 mt -82.5 -56.68 5.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.531 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 27.5 ttt -51.93 -36.97 50.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.5 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 27.4 mmtp -66.71 -46.91 74.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.502 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 88.1 m -72.14 -6.48 42.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.531 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -80.69 -54.01 3.83 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.86 ' O ' ' HB3' ' A' ' 28' ' ' GLN . . . -78.72 -8.72 59.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.791 0.329 . . . . 0.0 110.462 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.547 ' O ' ' C ' ' A' ' 26' ' ' LEU . 2.6 mp -86.99 -81.15 0.23 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.55 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.547 ' C ' ' O ' ' A' ' 25' ' ' LEU . 50.3 tp -26.41 -65.94 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.583 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.424 ' O ' HG13 ' A' ' 31' ' ' ILE . 10.6 mp -51.07 -58.08 7.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.569 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.86 ' HB3' ' O ' ' A' ' 24' ' ' ALA . 0.4 OUTLIER -47.27 -17.82 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.554 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.546 ' O ' ' N ' ' A' ' 31' ' ' ILE . . . -88.9 -72.84 1.28 Allowed Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.849 -0.9 . . . . 0.0 110.849 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -42.13 -18.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.798 0.332 . . . . 0.0 110.578 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.546 ' N ' ' O ' ' A' ' 29' ' ' GLY . 71.8 mt -76.98 -69.29 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.505 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.531 ' CD ' ' O ' ' A' ' 32' ' ' GLN . 5.3 pp0? -78.86 30.12 0.2 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.532 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.454 ' H ' ' C ' ' A' ' 31' ' ' ILE . 67.4 t0 -113.03 -50.94 2.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.58 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.428 ' NH2' ' OD2' ' A' ' 71' ' ' ASP . 16.1 ptm180 -91.42 -26.96 18.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.576 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -98.9 -13.19 20.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.516 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.71 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 -179.942 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_exo . . . . . 0 N--CA 1.49 1.293 0 CA-C-O 120.774 0.239 . . . . 0.0 112.067 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.599 ' H ' ' CD ' ' A' ' 44' ' ' GLU . 1.4 pm0 -79.32 -19.5 50.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.461 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.409 ' CD2' ' O ' ' A' ' 28' ' ' GLN . 14.0 tp -87.58 75.74 9.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.535 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -88.59 131.99 34.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.56 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 18.7 tp . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.595 179.97 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.477 ' OD2' ' OG ' ' A' ' 55' ' ' SER . 67.3 t0 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.808 0.337 . . . . 0.0 110.587 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.441 ' N ' ' OD1' ' A' ' 53' ' ' ASP . . . -81.32 -1.18 44.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.585 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.477 ' OG ' ' OD2' ' A' ' 53' ' ' ASP . 77.3 p -61.54 -38.86 88.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.578 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.7 m -83.58 -33.8 25.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.614 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 64.4 mmtt -49.77 -55.17 15.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.558 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 30.5 ttpt -59.32 -48.32 82.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.566 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.44 -26.13 67.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.601 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.4 t -71.63 -35.22 70.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.534 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 76.1 mt-10 -64.13 -31.57 72.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.559 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 91.5 m -64.38 -37.79 88.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.591 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.455 ' CD1' ' N ' ' A' ' 63' ' ' LEU . 8.6 mp -75.33 -24.64 57.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.524 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -84.25 -36.75 22.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.591 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.445 ' O ' ' OE2' ' A' ' 69' ' ' GLU . 99.7 mtt180 -68.45 -44.49 74.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.555 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 20.6 tt -76.41 -35.1 26.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.591 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.424 ' O ' ' CB ' ' A' ' 71' ' ' ASP . . . -60.99 -45.44 96.6 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.438 ' OD1' ' O ' ' A' ' 68' ' ' ASP . 68.2 t0 -62.74 -34.29 76.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.747 0.308 . . . . 0.0 110.595 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.534 ' OE1' ' N ' ' A' ' 69' ' ' GLU . 0.3 OUTLIER -79.62 -58.51 3.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.577 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.09 -43.12 73.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.609 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.428 ' OD2' ' NH2' ' A' ' 34' ' ' ARG . 54.0 t0 -65.06 -8.71 17.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.622 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.6 t -96.38 6.99 47.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.559 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -92.94 111.53 23.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.581 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 96.7 mmm -68.36 -11.14 59.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.626 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -80.42 -67.26 0.79 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.542 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 7.3 tp -59.83 -40.26 87.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.585 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 4.3 tm0? -61.8 -37.96 86.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.522 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 76.3 ttt180 -68.45 -44.87 73.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.653 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 74.4 mtp -54.51 -43.99 72.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.532 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.507 ' O ' HG12 ' A' ' 83' ' ' VAL . 84.3 mt -62.33 -23.68 32.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.605 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -86.1 -18.68 31.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.576 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -86.43 -15.41 40.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.566 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.613 ' O ' ' CG1' ' A' ' 83' ' ' VAL . 8.0 p -89.37 82.46 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.566 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.451 ' O ' ' O ' ' A' ' 83' ' ' VAL . 50.1 p30 -39.9 162.76 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.534 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 61.7 p -120.04 118.62 31.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.595 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -147.6 -0.35 0.65 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.528 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.444 ' HG ' ' H ' ' A' ' 90' ' ' GLU . 31.7 t -176.0 90.11 0.28 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.534 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.485 ' O ' ' CB ' ' A' ' 92' ' ' PHE . 41.0 Cg_endo -70.76 -14.14 32.7 Favored 'Trans proline' 0 C--N 1.304 -1.797 0 C-N-CA 122.792 2.328 . . . . 0.0 112.086 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 33.9 ptt-85 -86.83 -34.46 19.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.484 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.444 ' H ' ' HG ' ' A' ' 87' ' ' SER . 96.2 mt-10 -79.55 -57.7 3.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.588 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.479 ' CG1' ' N ' ' A' ' 92' ' ' PHE . 10.1 p -56.87 -51.24 70.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.517 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.485 ' CB ' ' O ' ' A' ' 88' ' ' PRO . 85.4 t80 -46.42 -51.84 14.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.472 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -68.24 -30.38 69.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.475 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 15.8 tpp180 -71.74 -57.72 4.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.555 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.446 ' CG2' ' N ' ' A' ' 96' ' ' ALA . 28.5 m -59.47 -47.98 88.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.537 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.446 ' N ' ' CG2' ' A' ' 95' ' ' VAL . . . -55.22 -27.76 48.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.548 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -81.78 -38.76 25.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.577 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 99' ' ' MET . 99.9 m-20 -63.3 -38.6 91.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.537 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' MET . . . . . 0.515 ' HB2' HH21 ' A' ' 109' ' ' ARG . 63.7 mtt -38.48 -68.76 0.14 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.542 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.604 ' CD2' ' O ' ' A' ' 100' ' ' PHE . 17.1 p90 -111.34 57.44 0.63 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.528 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.2 t -74.63 -26.84 60.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.527 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . 0.554 ' O ' ' C ' ' A' ' 103' ' ' GLY . 55.1 p-10 -155.58 -18.39 0.11 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.58 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.554 ' C ' ' O ' ' A' ' 102' ' ' ASP . . . -26.31 -80.71 0.01 OUTLIER Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . 0.607 ' O ' ' CG ' ' A' ' 105' ' ' PHE . 8.5 m-20 174.53 34.34 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.825 0.345 . . . . 0.0 110.598 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.607 ' CG ' ' O ' ' A' ' 104' ' ' ASN . 29.0 p90 42.64 28.97 0.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.57 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . 0.554 ' CG ' ' H ' ' A' ' 107' ' ' TRP . 29.1 p30 -52.09 -110.58 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.548 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' TRP . . . . . 0.554 ' H ' ' CG ' ' A' ' 106' ' ' ASN . 6.8 t90 174.8 -26.31 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.583 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . 0.439 ' O ' HG13 ' A' ' 111' ' ' VAL . . . -49.91 -42.2 37.88 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . 0.515 HH21 ' HB2' ' A' ' 99' ' ' MET . 0.0 OUTLIER -48.05 -26.27 1.75 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.851 0.357 . . . . 0.0 110.581 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.477 HG23 ' NE1' ' A' ' 107' ' ' TRP . 33.0 t -52.43 -57.88 3.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.563 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.554 ' CG1' ' N ' ' A' ' 112' ' ' ALA . 4.7 p -45.31 -46.63 3.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.545 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.554 ' N ' ' CG1' ' A' ' 111' ' ' VAL . . . -58.21 -35.21 71.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.516 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.1 tt -56.69 -46.89 80.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.503 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . 0.446 ' CZ ' ' CG1' ' A' ' 110' ' ' VAL . 10.0 m-85 -57.05 -44.17 82.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.471 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 92.7 t80 -68.0 -43.78 78.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.511 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 92.9 t80 -58.89 -41.93 88.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.57 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -70.83 -32.62 69.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.53 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 4.9 t -48.53 -44.6 36.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.593 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.817 ' O ' ' CB ' ' A' ' 123' ' ' LYS . 55.4 mmtt -59.44 -43.69 93.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.578 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 53.7 mt -68.05 -31.68 71.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.544 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 78.6 t -76.83 -53.31 15.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.608 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.408 ' O ' ' HB3' ' A' ' 125' ' ' LEU . 71.8 mt -73.03 -41.05 64.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.621 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.817 ' CB ' ' O ' ' A' ' 119' ' ' LYS . 38.6 ttmt -58.09 -41.16 82.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.616 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.524 ' O ' ' OG1' ' A' ' 127' ' ' THR . . . -75.48 -22.14 57.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.56 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.408 ' HB3' ' O ' ' A' ' 122' ' ' LEU . 33.8 tp -63.03 -32.06 73.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.513 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' CYS . . . . . 0.474 ' SG ' ' N ' ' A' ' 127' ' ' THR . 0.1 OUTLIER -83.3 -35.79 24.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.494 -179.914 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' THR . . . . . 0.756 ' O ' ' HB2' ' A' ' 128' ' ' LYS . 36.0 p -53.45 -18.57 2.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.579 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . 0.756 ' HB2' ' O ' ' A' ' 127' ' ' THR . 53.6 mttp 87.72 43.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.575 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . 0.515 ' CG2' ' OG1' ' A' ' 127' ' ' THR . 0.2 OUTLIER -147.07 91.47 5.14 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.67 -179.944 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' PRO . . . . . 0.98 ' O ' HG12 ' A' ' 133' ' ' ILE . 53.1 Cg_endo -73.6 -12.93 24.81 Favored 'Trans proline' 0 C--N 1.306 -1.702 0 C-N-CA 122.836 2.357 . . . . 0.0 112.039 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 46.5 tt0 -65.94 -40.1 91.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.52 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 8.5 mp -62.1 -33.95 75.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.517 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . 0.98 HG12 ' O ' ' A' ' 130' ' ' PRO . 2.3 pt -56.83 -50.25 75.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.482 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . 0.641 ' N ' ' CG1' ' A' ' 133' ' ' ILE . 42.9 ttm180 -68.86 -34.72 75.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.528 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 8.2 m -67.45 -31.68 72.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.553 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 46.9 mt -70.06 -58.61 5.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.494 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' MET . . . . . 0.419 ' O ' ' OG1' ' A' ' 140' ' ' THR . 95.0 mtp -46.65 -25.54 0.74 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.482 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -68.74 -40.36 85.38 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 139' ' ' TRP . . . . . 0.507 ' CD1' ' N ' ' A' ' 139' ' ' TRP . 13.4 m0 -66.32 -24.49 66.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.851 0.357 . . . . 0.0 110.539 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 140' ' ' THR . . . . . 0.478 ' OG1' ' N ' ' A' ' 141' ' ' LEU . 20.3 p -75.51 -65.83 0.85 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.563 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . 0.478 ' N ' ' OG1' ' A' ' 140' ' ' THR . 55.2 mt -51.82 -33.59 36.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.531 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -65.8 -50.97 62.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.599 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . 0.442 ' O ' ' HB2' ' A' ' 147' ' ' ARG . 5.4 t80 -66.84 -38.96 87.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.502 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 1.8 tp -71.04 -35.5 71.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.561 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 59.1 ttp180 -83.01 -10.65 58.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.537 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -112.09 -4.63 14.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.484 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . 1.146 ' O ' ' N ' ' A' ' 149' ' ' LEU . 11.5 mtp180 -142.17 -110.83 0.13 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.584 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . 0.701 ' O ' ' N ' ' A' ' 152' ' ' ILE . 1.0 OUTLIER -15.48 -27.73 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.563 -179.951 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . 1.146 ' N ' ' O ' ' A' ' 147' ' ' ARG . 57.3 tp -49.01 -56.31 9.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.683 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -63.91 -50.55 60.23 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 151' ' ' TRP . . . . . . . . . . . . . 99.5 m95 -66.3 -55.79 14.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.87 0.367 . . . . 0.0 110.632 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 152' ' ' ILE . . . . . 0.701 ' N ' ' O ' ' A' ' 148' ' ' LEU . 10.5 tt -51.34 -34.34 14.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.597 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . 0.401 ' N ' HG22 ' A' ' 152' ' ' ILE . 11.1 mt-30 -67.41 -31.37 71.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.554 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 53.6 t0 -88.92 -4.61 58.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.558 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -97.49 0.8 48.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.582 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 83.69 24.69 49.02 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 89.74 -160.43 28.84 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 158' ' ' TRP . . . . . 0.405 ' HE1' HG23 ' A' ' 19' ' ' ILE . 37.0 m95 -73.79 -5.85 43.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.801 0.334 . . . . 0.0 110.554 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -60.8 -42.42 97.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.539 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -54.45 -32.34 52.44 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 2.0 tt -62.72 -54.2 42.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.854 0.359 . . . . 0.0 110.6 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 47.6 tp -66.77 -31.34 71.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.588 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 6.1 t -66.55 -26.68 67.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.531 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 164' ' ' TYR . . . . . 0.42 ' C ' ' H ' ' A' ' 166' ' ' GLY . 94.1 t80 -76.03 -42.85 46.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.584 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -71.75 47.91 0.15 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.597 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 166' ' ' GLY . . . . . 0.42 ' H ' ' C ' ' A' ' 164' ' ' TYR . . . -130.68 39.16 1.83 Allowed Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 167' ' ' THR . . . . . 1.152 ' OG1' ' HD2' ' A' ' 168' ' ' PRO . 0.6 OUTLIER -108.64 -177.24 0.46 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 120.909 0.385 . . . . 0.0 110.564 -179.949 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 168' ' ' PRO . . . . . 1.152 ' HD2' ' OG1' ' A' ' 167' ' ' THR . 58.6 Cg_endo -76.51 -147.38 0.03 OUTLIER 'Trans proline' 0 C--N 1.305 -1.728 0 C-N-CA 122.81 2.34 . . . . 0.0 112.132 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 169' ' ' THR . . . . . 0.602 ' C ' ' O ' ' A' ' 168' ' ' PRO . 80.3 p -21.08 99.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.581 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 170' ' ' TRP . . . . . 0.618 ' O ' HG23 ' A' ' 173' ' ' VAL . 32.4 p90 -63.64 -18.66 64.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.571 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 171' ' ' GLN . . . . . . . . . . . . . 2.6 pp0? -47.02 -13.88 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.589 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 172' ' ' THR . . . . . 0.505 ' H ' ' C ' ' A' ' 170' ' ' TRP . 4.7 m -87.47 -29.53 21.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.526 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 173' ' ' VAL . . . . . 0.618 HG23 ' O ' ' A' ' 170' ' ' TRP . 2.0 m -72.05 -45.59 62.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.619 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 174' ' ' THR . . . . . 0.558 ' N ' ' CG2' ' A' ' 173' ' ' VAL . 25.1 m -64.61 -24.88 67.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.589 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 175' ' ' ILE . . . . . 0.429 HG23 ' O ' ' A' ' 172' ' ' THR . 1.7 tt -85.8 -7.49 10.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.535 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 176' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -94.64 -60.16 1.77 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.544 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 3.2 m -62.09 -16.76 16.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.5 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 178' ' ' ALA . . . . . 0.639 ' O ' ' OG1' ' A' ' 182' ' ' THR . . . -95.47 -45.9 6.9 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.605 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -62.33 -26.24 67.69 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 180' ' ' VAL . . . . . 0.522 ' CG1' ' N ' ' A' ' 181' ' ' LEU . 13.6 p -86.17 -51.67 12.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.761 0.315 . . . . 0.0 110.573 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 181' ' ' LEU . . . . . 0.522 ' N ' ' CG1' ' A' ' 180' ' ' VAL . 40.6 tp -69.3 -48.01 62.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.585 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 182' ' ' THR . . . . . 0.639 ' OG1' ' O ' ' A' ' 178' ' ' ALA . 25.3 m -50.5 -51.4 47.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.515 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -47.33 -45.76 24.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.548 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 184' ' ' SER . . . . . . . . . . . . . 28.3 t -54.46 -37.89 65.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.506 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 60.4 mt -77.64 -21.76 51.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.542 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 21.8 m -73.22 -44.86 58.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.563 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 187' ' ' ILE . . . . . 0.51 ' O ' ' C ' ' A' ' 188' ' ' TRP . 12.7 tt -73.67 -51.63 24.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.546 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 188' ' ' TRP . . . . . 0.51 ' C ' ' O ' ' A' ' 187' ' ' ILE . 0.2 OUTLIER -30.75 -56.87 0.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.608 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 7.8 mmtt -175.81 128.24 0.24 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.57 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 190' ' ' LYS . . . . . . . . . . . . . 35.2 pttt -109.83 89.56 3.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.551 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 191' ' ' MET . . . . . . . . . . . . . 84.6 mtp -128.64 136.59 50.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.557 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.739 0 CA-C-O 118.013 -1.437 . . . . 0.0 110.918 -179.982 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 1.037 ' O ' HD11 ' A' ' 19' ' ' ILE . 1.5 p . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.777 0.322 . . . . 0.0 110.522 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.453 ' H ' ' HB2' ' A' ' 15' ' ' SER . 21.2 m -102.11 -13.46 17.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.656 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -80.6 -49.46 11.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.655 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -66.48 -22.78 66.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.653 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 1.037 HD11 ' O ' ' A' ' 15' ' ' SER . 27.4 mt -82.06 -54.92 8.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.564 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 88.9 mtp -53.6 -36.22 61.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.542 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 23.0 mmtp -67.6 -46.02 73.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.529 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 52.3 m -72.51 -7.65 51.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.506 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -79.8 -53.82 4.14 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.904 -0.879 . . . . 0.0 110.904 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.498 ' O ' ' CG ' ' A' ' 28' ' ' GLN . . . -78.38 -9.36 59.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.793 0.33 . . . . 0.0 110.477 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.551 ' O ' ' C ' ' A' ' 26' ' ' LEU . 34.7 tp -86.59 -81.04 0.23 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.521 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.551 ' C ' ' O ' ' A' ' 25' ' ' LEU . 45.0 tp -26.73 -65.83 0.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.513 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.519 ' O ' HG12 ' A' ' 31' ' ' ILE . 51.5 mt -51.1 -58.07 7.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.53 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.498 ' CG ' ' O ' ' A' ' 24' ' ' ALA . 40.2 mt-30 -47.36 -17.96 0.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.537 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.542 ' O ' ' N ' ' A' ' 31' ' ' ILE . . . -88.68 -72.76 1.28 Allowed Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 38.8 t80 -42.27 -18.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.812 0.339 . . . . 0.0 110.576 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.542 ' N ' ' O ' ' A' ' 29' ' ' GLY . 30.3 mm -77.13 -69.21 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.582 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.592 ' HG2' ' O ' ' A' ' 32' ' ' GLN . 50.2 tt0 -78.83 30.07 0.2 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.59 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.45 ' H ' ' C ' ' A' ' 31' ' ' ILE . 49.9 t0 -113.1 -50.75 2.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.574 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 15.4 ptm180 -91.6 -27.12 18.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.553 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -98.53 -14.38 20.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.595 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.695 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 179.996 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.436 ' HB3' ' NE2' ' A' ' 32' ' ' GLN . 51.8 Cg_exo . . . . . 0 N--CA 1.491 1.356 0 CA-C-O 120.816 0.257 . . . . 0.0 112.091 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 51.5 mp0 -94.19 -9.13 37.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.506 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.474 ' CD2' ' O ' ' A' ' 28' ' ' GLN . 23.3 tp -105.36 67.71 0.78 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.518 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.805 ' O ' ' CB ' ' A' ' 47' ' ' LEU . . . -77.08 138.23 39.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.535 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.805 ' CB ' ' O ' ' A' ' 46' ' ' ALA . 64.9 tp . . . . . 0 CA--C 1.587 2.401 1 CA-C-O 106.478 -6.487 . . . . 0.0 101.611 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 54.1 t0 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.813 0.339 . . . . 0.0 110.568 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -88.54 -1.68 58.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.61 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 12.0 t -59.15 -39.37 82.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.539 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 10.5 m -82.04 -33.61 29.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.563 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -50.31 -54.74 19.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.661 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -59.83 -48.11 83.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.536 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.65 -26.2 67.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.536 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.5 t -71.54 -35.23 70.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.544 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -64.01 -31.71 73.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.551 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 94.4 m -64.23 -37.8 88.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.605 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 10.8 mp -75.36 -24.67 57.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.53 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -84.29 -36.72 22.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.557 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.435 ' O ' ' OE2' ' A' ' 69' ' ' GLU . 99.6 mtt180 -68.46 -44.47 74.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.575 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 19.4 tt -76.48 -35.02 25.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.574 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.425 ' O ' ' CB ' ' A' ' 71' ' ' ASP . . . -61.04 -45.38 96.7 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.437 ' OD1' ' O ' ' A' ' 68' ' ' ASP . 68.5 t0 -62.75 -34.37 77.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.852 0.358 . . . . 0.0 110.569 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.547 ' OE1' ' N ' ' A' ' 69' ' ' GLU . 0.3 OUTLIER -79.55 -58.49 3.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.609 179.949 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 2.1 mt -55.22 -43.07 74.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.538 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.425 ' CB ' ' O ' ' A' ' 67' ' ' GLY . 51.4 t0 -65.01 -8.76 17.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.623 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.6 t -96.4 7.08 47.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.61 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -92.99 111.55 23.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.531 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 77.8 mtm -68.41 -11.12 59.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.56 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 -80.43 -67.36 0.78 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.552 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 52.5 tp -59.66 -40.42 87.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.618 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.676 HE22 ' NZ ' ' A' ' 119' ' ' LYS . 67.6 tp60 -61.72 -37.95 86.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.536 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 77.8 ttt180 -68.49 -44.96 73.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.552 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 66.0 mtp -54.51 -43.83 72.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.629 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.515 ' O ' HG12 ' A' ' 83' ' ' VAL . 87.9 mt -62.47 -23.64 32.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.59 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -85.98 -18.78 31.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.595 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -86.43 -15.34 40.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.57 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.613 ' O ' ' CG1' ' A' ' 83' ' ' VAL . 8.2 p -89.47 82.61 2.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.585 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.429 ' O ' ' O ' ' A' ' 83' ' ' VAL . 55.3 p-10 -40.3 162.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.567 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 64.3 p -119.61 119.42 33.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.616 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 -148.4 -0.18 0.57 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.489 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.414 ' O ' HG11 ' A' ' 91' ' ' VAL . 44.0 t -176.04 88.7 0.28 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.504 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.487 ' O ' ' CB ' ' A' ' 92' ' ' PHE . 37.4 Cg_endo -69.37 -14.56 37.54 Favored 'Trans proline' 0 C--N 1.306 -1.692 0 C-N-CA 122.829 2.352 . . . . 0.0 112.068 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 34.2 ptt-85 -86.42 -35.06 19.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.55 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -78.92 -57.9 3.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.528 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.483 ' CG1' ' N ' ' A' ' 92' ' ' PHE . 10.3 p -56.71 -51.63 64.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.532 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.487 ' CB ' ' O ' ' A' ' 88' ' ' PRO . 71.8 t80 -46.02 -52.12 12.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.473 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 91.3 t80 -68.29 -29.95 68.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.432 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 15.3 tpp180 -71.98 -57.18 4.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.495 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.442 ' CG2' ' N ' ' A' ' 96' ' ' ALA . 28.1 m -60.16 -47.8 90.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.45 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.442 ' N ' ' CG2' ' A' ' 95' ' ' VAL . . . -55.34 -27.71 48.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.469 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -81.71 -38.86 25.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.522 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.407 ' O ' ' C ' ' A' ' 99' ' ' MET . 99.4 m-20 -63.25 -38.58 91.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.612 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' MET . . . . . 0.506 ' HB2' HH21 ' A' ' 109' ' ' ARG . 64.8 mtt -38.44 -68.72 0.15 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.559 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.6 ' CD2' ' O ' ' A' ' 100' ' ' PHE . 17.2 p90 -111.39 57.42 0.63 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.544 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.2 t -74.59 -26.84 60.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.579 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . 0.531 ' O ' ' C ' ' A' ' 103' ' ' GLY . 55.6 p-10 -155.64 -18.29 0.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.542 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.531 ' C ' ' O ' ' A' ' 102' ' ' ASP . . . -26.45 -80.61 0.01 OUTLIER Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.916 -0.873 . . . . 0.0 110.916 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . 0.606 ' O ' ' CG ' ' A' ' 105' ' ' PHE . 8.3 m-20 174.47 34.35 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.764 0.316 . . . . 0.0 110.587 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.606 ' CG ' ' O ' ' A' ' 104' ' ' ASN . 29.5 p90 42.58 29.12 0.14 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.597 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . 0.549 ' CG ' ' H ' ' A' ' 107' ' ' TRP . 28.5 p30 -52.1 -110.54 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.499 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' TRP . . . . . 0.549 ' H ' ' CG ' ' A' ' 106' ' ' ASN . 6.5 t90 174.66 -26.13 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.587 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . 0.438 ' O ' HG13 ' A' ' 111' ' ' VAL . . . -50.12 -42.12 39.59 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.934 -0.867 . . . . 0.0 110.934 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . 0.506 HH21 ' HB2' ' A' ' 99' ' ' MET . 0.0 OUTLIER -48.14 -26.1 1.74 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.775 0.322 . . . . 0.0 110.522 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.473 HG23 ' NE1' ' A' ' 107' ' ' TRP . 36.2 t -52.52 -57.86 3.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.582 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.553 ' CG1' ' N ' ' A' ' 112' ' ' ALA . 4.7 p -45.35 -46.71 3.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.503 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.553 ' N ' ' CG1' ' A' ' 111' ' ' VAL . . . -58.08 -35.25 71.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.471 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.1 tt -56.73 -46.83 81.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.581 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . 0.412 ' CZ ' ' CG1' ' A' ' 110' ' ' VAL . 10.8 m-85 -57.12 -44.09 82.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.607 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 93.1 t80 -67.98 -43.71 78.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.564 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 92.2 t80 -58.94 -42.01 88.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.536 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -70.74 -32.72 69.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.581 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 4.7 t -48.42 -44.53 35.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.625 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.822 ' O ' ' CB ' ' A' ' 123' ' ' LYS . 58.2 mmtt -59.6 -43.67 93.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.569 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 52.9 mt -67.94 -31.63 71.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.526 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.411 ' O ' ' CD1' ' A' ' 133' ' ' ILE . 60.9 t -76.92 -53.49 14.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.554 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 70.9 mt -72.91 -40.95 65.06 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.552 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.822 ' CB ' ' O ' ' A' ' 119' ' ' LYS . 88.7 tttt -58.03 -41.23 82.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.526 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.529 ' O ' ' OG1' ' A' ' 127' ' ' THR . . . -75.55 -22.18 57.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.578 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 50.5 tp -62.82 -32.29 73.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.629 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' CYS . . . . . 0.51 ' SG ' ' O ' ' A' ' 123' ' ' LYS . 16.8 p -82.97 -36.0 25.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.582 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' THR . . . . . 0.761 ' O ' ' HB2' ' A' ' 128' ' ' LYS . 35.4 p -53.3 -19.12 2.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.557 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . 0.761 ' HB2' ' O ' ' A' ' 127' ' ' THR . 62.1 mttm 87.84 44.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.487 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . 0.492 ' CG2' ' OG1' ' A' ' 127' ' ' THR . 0.4 OUTLIER -147.73 89.92 5.26 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.609 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -71.58 -14.95 30.67 Favored 'Trans proline' 0 C--N 1.304 -1.775 0 C-N-CA 122.82 2.347 . . . . 0.0 112.067 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -64.6 -39.97 94.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.499 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 2.3 tp -62.24 -32.62 73.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.53 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . 0.427 HD13 HG21 ' A' ' 133' ' ' ILE . 21.8 mm -58.72 -49.39 82.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.523 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 43.2 ttm180 -69.47 -34.67 74.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.439 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 24.2 m -67.28 -31.67 72.14 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.558 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 46.3 mt -70.03 -58.72 4.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.495 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 6.1 mtp -46.57 -25.4 0.69 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.526 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -68.76 -40.44 85.23 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.835 -0.906 . . . . 0.0 110.835 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -66.36 -24.47 66.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.801 0.334 . . . . 0.0 110.568 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 140' ' ' THR . . . . . 0.503 ' OG1' ' N ' ' A' ' 141' ' ' LEU . 15.4 p -75.46 -65.96 0.83 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.535 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . 0.503 ' N ' ' OG1' ' A' ' 140' ' ' THR . 54.9 mt -51.71 -33.62 35.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.562 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -65.69 -51.08 62.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.6 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . 0.453 ' O ' ' HB2' ' A' ' 147' ' ' ARG . 5.9 t80 -66.81 -38.89 87.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.57 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.04 -35.48 71.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.557 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 57.7 ttp180 -83.05 -10.72 58.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.54 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -112.04 -4.5 14.46 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.533 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . 1.152 ' O ' ' N ' ' A' ' 149' ' ' LEU . 10.6 mtp180 -142.25 -110.93 0.13 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.533 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . 0.699 ' O ' ' N ' ' A' ' 152' ' ' ILE . 1.0 OUTLIER -15.42 -27.74 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.524 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . 1.152 ' N ' ' O ' ' A' ' 147' ' ' ARG . 56.2 tp -49.11 -56.28 9.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.565 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -63.97 -50.64 59.44 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 151' ' ' TRP . . . . . . . . . . . . . 30.6 m95 -66.16 -55.78 14.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.879 0.371 . . . . 0.0 110.689 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 152' ' ' ILE . . . . . 0.699 ' N ' ' O ' ' A' ' 148' ' ' LEU . 9.4 tt -51.34 -34.37 14.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.579 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . 0.478 ' NE2' ' CD1' ' A' ' 149' ' ' LEU . 52.4 mt-30 -67.44 -31.29 71.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.619 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -88.96 -4.59 58.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.623 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -97.5 0.74 48.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.541 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 83.72 24.59 49.25 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 89.85 -160.31 28.61 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 158' ' ' TRP . . . . . 0.484 ' HE1' HG23 ' A' ' 19' ' ' ILE . 55.7 m95 -74.02 -5.56 42.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.761 0.315 . . . . 0.0 110.548 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -60.85 -42.52 97.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.554 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -54.35 -32.19 51.55 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.951 -0.859 . . . . 0.0 110.951 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 1.9 tt -62.98 -54.17 42.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.814 0.34 . . . . 0.0 110.496 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 55.2 tp -66.84 -31.24 71.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.539 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 5.1 t -66.6 -26.6 67.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.554 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 164' ' ' TYR . . . . . 0.421 ' C ' ' H ' ' A' ' 166' ' ' GLY . 93.1 t80 -76.17 -42.86 45.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.564 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -71.61 47.91 0.14 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.569 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 166' ' ' GLY . . . . . 0.421 ' H ' ' C ' ' A' ' 164' ' ' TYR . . . -130.8 38.94 1.86 Allowed Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 167' ' ' THR . . . . . 1.091 ' OG1' ' HD2' ' A' ' 168' ' ' PRO . 0.6 OUTLIER -108.5 -179.0 0.62 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 120.913 0.387 . . . . 0.0 110.544 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 168' ' ' PRO . . . . . 1.091 ' HD2' ' OG1' ' A' ' 167' ' ' THR . 56.3 Cg_endo -74.61 -146.75 0.03 OUTLIER 'Trans proline' 0 C--N 1.305 -1.761 0 C-N-CA 122.86 2.374 . . . . 0.0 112.136 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 169' ' ' THR . . . . . 0.599 ' C ' ' O ' ' A' ' 168' ' ' PRO . 9.4 p -21.6 100.41 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.627 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 170' ' ' TRP . . . . . 0.62 ' O ' HG23 ' A' ' 173' ' ' VAL . 28.0 p90 -64.43 -18.59 64.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.534 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 171' ' ' GLN . . . . . 0.481 ' NE2' ' OG1' ' A' ' 172' ' ' THR . 5.1 pp0? -47.29 -13.96 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.557 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 172' ' ' THR . . . . . 0.504 ' H ' ' C ' ' A' ' 170' ' ' TRP . 5.2 m -87.13 -29.47 21.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.52 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 173' ' ' VAL . . . . . 0.62 HG23 ' O ' ' A' ' 170' ' ' TRP . 2.1 m -72.09 -45.64 62.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.504 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 174' ' ' THR . . . . . 0.562 ' N ' ' CG2' ' A' ' 173' ' ' VAL . 25.2 m -64.56 -24.95 67.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.521 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 175' ' ' ILE . . . . . 0.438 HG23 ' O ' ' A' ' 172' ' ' THR . 1.8 tt -85.76 -7.53 10.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.57 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 176' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -94.56 -60.13 1.78 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.567 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 3.2 m -62.1 -16.72 16.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.573 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 178' ' ' ALA . . . . . 0.621 ' O ' ' OG1' ' A' ' 182' ' ' THR . . . -95.48 -45.98 6.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.527 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -62.29 -26.2 67.56 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 180' ' ' VAL . . . . . 0.519 ' CG1' ' N ' ' A' ' 181' ' ' LEU . 13.6 p -86.13 -51.8 12.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.885 0.374 . . . . 0.0 110.591 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 181' ' ' LEU . . . . . 0.519 ' N ' ' CG1' ' A' ' 180' ' ' VAL . 38.6 tp -69.32 -47.93 63.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.545 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 182' ' ' THR . . . . . 0.621 ' OG1' ' O ' ' A' ' 178' ' ' ALA . 27.7 m -50.55 -51.35 48.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.514 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -47.43 -45.69 25.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.533 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 184' ' ' SER . . . . . . . . . . . . . 28.7 t -54.47 -37.83 65.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.603 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 65.8 mt -77.62 -21.78 51.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.524 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 21.5 m -73.28 -44.77 58.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.597 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 187' ' ' ILE . . . . . 0.507 ' O ' ' C ' ' A' ' 188' ' ' TRP . 12.7 tt -73.78 -51.56 24.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.573 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 188' ' ' TRP . . . . . 0.507 ' C ' ' O ' ' A' ' 187' ' ' ILE . 0.1 OUTLIER -30.82 -56.89 0.22 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.575 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 8.0 mmtt -175.74 128.26 0.24 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.542 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 190' ' ' LYS . . . . . . . . . . . . . 14.4 ptmt -109.87 89.58 3.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.611 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 191' ' ' MET . . . . . . . . . . . . . 84.4 mtp -128.67 136.51 50.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.614 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.775 0 CA-C-O 118.044 -1.42 . . . . 0.0 110.895 -179.975 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 1.058 ' O ' HD11 ' A' ' 19' ' ' ILE . 22.5 p . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.884 0.373 . . . . 0.0 110.424 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 62.5 m -94.5 -15.72 23.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.724 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -91.67 -51.74 5.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.565 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -55.62 -32.97 63.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.772 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 1.058 HD11 ' O ' ' A' ' 15' ' ' SER . 65.5 mt -75.11 -51.45 21.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.742 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 13.0 ttt -56.94 -36.09 69.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.809 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -68.05 -44.12 77.12 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.71 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 41.3 p -72.59 -13.67 61.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.662 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -74.51 -54.29 6.15 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.415 ' O ' ' HB2' ' A' ' 28' ' ' GLN . . . -77.45 -10.32 59.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.853 0.359 . . . . 0.0 110.646 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.53 ' O ' ' C ' ' A' ' 26' ' ' LEU . 33.6 tp -86.53 -78.43 0.29 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.608 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.53 ' C ' ' O ' ' A' ' 25' ' ' LEU . 56.4 tp -29.14 -64.55 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.614 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.432 ' O ' HG12 ' A' ' 31' ' ' ILE . 60.0 tp -52.46 -56.32 15.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.546 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.563 ' OE1' HD12 ' A' ' 47' ' ' LEU . 51.5 tt0 -48.77 -17.97 0.23 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.598 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.528 ' O ' ' N ' ' A' ' 31' ' ' ILE . . . -88.76 -72.13 1.27 Allowed Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -42.53 -18.98 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.837 0.351 . . . . 0.0 110.56 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.528 ' N ' ' O ' ' A' ' 29' ' ' GLY . 4.0 mm -77.01 -68.84 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.593 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 31.3 tt0 -79.16 29.78 0.22 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.604 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.448 ' H ' ' C ' ' A' ' 31' ' ' ILE . 68.3 t0 -112.76 -51.03 2.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.503 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 -91.24 -26.96 18.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.532 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -98.64 -13.24 20.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.576 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.629 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 -179.958 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo . . . . . 0 N--CA 1.49 1.317 0 CA-C-O 120.779 0.241 . . . . 0.0 112.17 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -72.83 -19.07 61.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.534 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.497 ' CD2' ' O ' ' A' ' 45' ' ' LEU . 3.1 tt -92.34 73.01 5.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.538 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.402 ' O ' ' HG ' ' A' ' 47' ' ' LEU . . . -90.31 131.6 36.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.566 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.563 HD12 ' OE1' ' A' ' 28' ' ' GLN . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.584 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.423 ' OD1' ' N ' ' A' ' 53' ' ' ASP . 29.5 p-10 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.762 0.315 . . . . 0.0 110.628 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -84.19 -1.44 55.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.58 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 58.5 m -61.22 -39.83 91.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.558 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.39 -33.78 28.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.608 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 31.7 ttpt -50.0 -54.74 18.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.6 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 30.2 ttpt -59.92 -47.94 83.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.583 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.83 -26.12 67.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.551 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.8 t -71.51 -35.27 70.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.569 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -64.08 -31.53 72.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.55 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 92.1 m -64.45 -37.74 88.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.519 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.438 ' CD1' ' N ' ' A' ' 63' ' ' LEU . 9.0 mp -75.41 -24.6 57.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.591 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.426 ' CB ' ' HZ1' ' A' ' 64' ' ' LYS . 8.0 ttpm? -84.26 -36.64 22.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.58 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.438 ' O ' ' OE2' ' A' ' 69' ' ' GLU . 95.0 mtt180 -68.61 -44.44 74.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.535 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 20.6 tt -76.44 -35.11 25.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.547 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.425 ' O ' ' CB ' ' A' ' 71' ' ' ASP . . . -60.95 -45.45 96.56 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.425 ' OD1' ' O ' ' A' ' 68' ' ' ASP . 68.3 t0 -62.7 -34.29 76.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.753 0.311 . . . . 0.0 110.599 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.541 ' OE1' ' N ' ' A' ' 69' ' ' GLU . 0.3 OUTLIER -79.71 -58.36 3.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.578 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.26 -43.02 74.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.547 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.432 ' OD1' ' O ' ' A' ' 71' ' ' ASP . 53.2 t0 -65.13 -8.69 17.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.553 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.5 t -96.37 7.0 47.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.592 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -92.96 111.43 23.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.608 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 89.5 mtp -68.23 -11.18 58.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.528 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -80.51 -67.23 0.79 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.513 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 7.7 tp -59.93 -40.12 87.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.574 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 10.7 tm0? -61.91 -37.9 86.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.571 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 75.5 ttt180 -68.49 -44.93 73.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.536 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 73.9 mtp -54.54 -43.87 72.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.577 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.511 ' O ' HG12 ' A' ' 83' ' ' VAL . 85.5 mt -62.46 -23.53 32.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.6 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -86.27 -18.6 31.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.555 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -86.69 -14.88 41.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.544 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.609 ' O ' ' CG1' ' A' ' 83' ' ' VAL . 8.1 p -89.96 82.06 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.551 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.444 ' O ' ' O ' ' A' ' 83' ' ' VAL . 43.6 p30 -39.9 162.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.557 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 97.8 m -119.49 119.07 32.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.656 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -147.6 -0.28 0.65 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.475 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.434 ' O ' HG11 ' A' ' 91' ' ' VAL . 47.4 t -176.12 90.47 0.27 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.491 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.477 ' O ' ' CB ' ' A' ' 92' ' ' PHE . 42.8 Cg_endo -71.03 -13.98 31.81 Favored 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 122.847 2.365 . . . . 0.0 112.127 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 16.1 ptt-85 -87.82 -32.32 19.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.546 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -81.5 -56.55 3.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.504 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.463 ' CG1' ' N ' ' A' ' 92' ' ' PHE . 9.3 p -58.54 -50.43 78.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.529 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.477 ' CB ' ' O ' ' A' ' 88' ' ' PRO . 85.8 t80 -46.97 -51.28 17.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.478 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -68.62 -30.2 68.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.51 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 15.5 tpp180 -71.87 -57.65 4.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.555 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.441 ' CG2' ' N ' ' A' ' 96' ' ' ALA . 28.3 m -59.56 -47.84 89.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.528 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.441 ' N ' ' CG2' ' A' ' 95' ' ' VAL . . . -55.45 -27.69 49.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.462 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -81.76 -38.89 24.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.508 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.407 ' O ' ' C ' ' A' ' 99' ' ' MET . 99.8 m-20 -63.3 -38.56 91.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.578 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' MET . . . . . 0.407 ' C ' ' O ' ' A' ' 98' ' ' ASP . 63.8 mtt -38.43 -68.78 0.14 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.546 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.608 ' CD2' ' O ' ' A' ' 100' ' ' PHE . 16.3 p90 -111.38 57.46 0.63 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.57 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.2 t -74.59 -26.82 60.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.607 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . 0.532 ' O ' ' C ' ' A' ' 103' ' ' GLY . 55.6 p-10 -155.65 -18.18 0.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.539 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.532 ' C ' ' O ' ' A' ' 102' ' ' ASP . . . -26.45 -80.61 0.01 OUTLIER Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . 0.606 ' O ' ' CG ' ' A' ' 105' ' ' PHE . 25.9 t-20 174.44 34.49 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.782 0.325 . . . . 0.0 110.612 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.606 ' CG ' ' O ' ' A' ' 104' ' ' ASN . 31.2 p90 42.58 29.01 0.14 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.555 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . 0.545 ' CG ' ' H ' ' A' ' 107' ' ' TRP . 29.0 p30 -52.14 -110.5 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.618 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' TRP . . . . . 0.545 ' H ' ' CG ' ' A' ' 106' ' ' ASN . 6.7 t90 174.71 -26.21 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.608 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . 0.446 ' O ' HG13 ' A' ' 111' ' ' VAL . . . -49.98 -42.13 38.34 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.959 -0.857 . . . . 0.0 110.959 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 5.7 ppt_? -48.13 -26.15 1.76 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.787 0.327 . . . . 0.0 110.616 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.476 HG23 ' NE1' ' A' ' 107' ' ' TRP . 33.1 t -52.44 -57.98 3.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.491 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.552 ' CG1' ' N ' ' A' ' 112' ' ' ALA . 4.9 p -45.32 -46.66 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.444 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.552 ' N ' ' CG1' ' A' ' 111' ' ' VAL . . . -58.06 -35.36 71.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.506 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 1.8 tt -56.59 -46.9 80.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.63 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . 0.451 ' CZ ' ' CG1' ' A' ' 110' ' ' VAL . 9.8 m-85 -56.98 -44.23 82.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.523 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 92.6 t80 -67.86 -43.82 78.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.591 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 93.2 t80 -58.96 -41.9 88.58 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.514 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -70.78 -32.72 69.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.544 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 4.9 t -48.44 -44.68 35.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.565 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.82 ' O ' ' CB ' ' A' ' 123' ' ' LYS . 55.0 mmtt -59.36 -43.61 92.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.659 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 53.1 mt -68.13 -31.5 71.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.605 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.514 ' O ' ' CD1' ' A' ' 133' ' ' ILE . 75.5 t -76.97 -53.28 15.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.542 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 68.6 mt -73.18 -40.57 64.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.564 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.82 ' CB ' ' O ' ' A' ' 119' ' ' LYS . 88.7 tttt -58.41 -40.91 83.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.53 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.523 ' O ' ' OG1' ' A' ' 127' ' ' THR . . . -76.09 -21.26 56.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.562 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 6.9 tp -63.62 -31.26 72.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.607 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' CYS . . . . . 0.455 ' SG ' ' N ' ' A' ' 127' ' ' THR . 13.8 p -84.84 -34.54 22.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.601 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' THR . . . . . 0.796 ' O ' ' HB2' ' A' ' 128' ' ' LYS . 26.3 p -53.96 -18.32 3.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.565 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . 0.796 ' HB2' ' O ' ' A' ' 127' ' ' THR . 26.9 mmtp 88.07 42.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.573 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . 0.454 ' CG2' ' OG1' ' A' ' 127' ' ' THR . 1.7 m -146.96 92.99 4.85 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.626 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -74.91 -13.33 21.66 Favored 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 122.845 2.364 . . . . 0.0 112.074 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . 0.526 ' O ' HG21 ' A' ' 135' ' ' THR . 78.8 tt0 -66.22 -38.83 88.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.564 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.512 ' HA ' ' OG1' ' A' ' 135' ' ' THR . 2.4 tp -63.06 -31.87 73.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.529 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . 0.514 ' CD1' ' O ' ' A' ' 121' ' ' VAL . 8.0 mm -59.28 -49.09 84.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.482 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 88.7 mtm180 -69.55 -34.66 74.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.485 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' THR . . . . . 0.526 HG21 ' O ' ' A' ' 131' ' ' GLU . 61.7 p -67.31 -32.04 72.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.486 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 47.2 mt -69.72 -58.6 5.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.561 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' MET . . . . . 0.423 ' O ' ' OG1' ' A' ' 140' ' ' THR . 55.2 mtt -46.71 -25.44 0.73 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.442 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -68.71 -40.58 85.4 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 139' ' ' TRP . . . . . 0.566 ' CD1' ' N ' ' A' ' 139' ' ' TRP . 7.5 m0 -66.23 -24.44 66.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.778 0.323 . . . . 0.0 110.554 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 140' ' ' THR . . . . . 0.475 ' OG1' ' N ' ' A' ' 141' ' ' LEU . 21.1 p -75.58 -65.89 0.84 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.535 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . 0.475 ' N ' ' OG1' ' A' ' 140' ' ' THR . 52.8 mt -51.86 -33.44 36.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.578 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -65.83 -51.05 62.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.533 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . 0.463 ' O ' ' HB2' ' A' ' 147' ' ' ARG . 6.4 t80 -66.83 -38.83 87.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.565 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 2.0 tp -71.15 -35.55 71.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.476 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 57.9 ttp180 -83.01 -10.62 58.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.574 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -112.04 -4.62 14.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.582 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . 1.152 ' O ' ' N ' ' A' ' 149' ' ' LEU . 19.5 mtp180 -142.23 -110.88 0.13 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.546 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . 0.697 ' O ' ' N ' ' A' ' 152' ' ' ILE . 1.0 OUTLIER -15.29 -27.83 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.595 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . 1.152 ' N ' ' O ' ' A' ' 147' ' ' ARG . 59.3 tp -49.09 -56.31 9.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.54 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -63.87 -50.65 59.59 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 151' ' ' TRP . . . . . . . . . . . . . 99.4 m95 -66.26 -55.81 14.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.791 0.329 . . . . 0.0 110.541 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 152' ' ' ILE . . . . . 0.697 ' N ' ' O ' ' A' ' 148' ' ' LEU . 10.3 tt -51.31 -34.41 14.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.561 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . 0.417 ' NE2' ' CD1' ' A' ' 149' ' ' LEU . 50.9 mt-30 -67.41 -31.42 71.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.528 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -88.83 -4.62 58.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.639 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -97.49 0.89 48.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.54 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 83.6 24.76 49.16 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 89.7 -160.42 28.87 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.874 -0.891 . . . . 0.0 110.874 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 158' ' ' TRP . . . . . 0.43 ' HE1' HG23 ' A' ' 19' ' ' ILE . 37.7 m95 -73.86 -5.66 42.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.812 0.339 . . . . 0.0 110.57 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -60.83 -42.46 97.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.539 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -54.35 -32.37 51.76 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 2.0 tt -62.83 -54.15 43.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.708 0.29 . . . . 0.0 110.513 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 48.6 tp -66.85 -31.23 71.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.582 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 20.9 t -66.54 -26.83 67.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.554 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 164' ' ' TYR . . . . . 0.421 ' C ' ' H ' ' A' ' 166' ' ' GLY . 94.5 t80 -75.79 -42.97 48.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.567 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -71.82 47.88 0.15 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.537 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 166' ' ' GLY . . . . . 0.421 ' H ' ' C ' ' A' ' 164' ' ' TYR . . . -130.5 39.08 1.85 Allowed Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 167' ' ' THR . . . . . 1.195 ' OG1' ' HD2' ' A' ' 168' ' ' PRO . 0.6 OUTLIER -108.6 -176.45 0.4 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 120.978 0.418 . . . . 0.0 110.594 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 168' ' ' PRO . . . . . 1.195 ' HD2' ' OG1' ' A' ' 167' ' ' THR . 61.3 Cg_endo -77.67 -147.76 0.03 OUTLIER 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 122.896 2.398 . . . . 0.0 112.212 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 169' ' ' THR . . . . . 0.606 ' C ' ' O ' ' A' ' 168' ' ' PRO . 20.8 p -20.28 98.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.611 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 170' ' ' TRP . . . . . 0.613 ' O ' HG23 ' A' ' 173' ' ' VAL . 30.8 p90 -63.19 -18.48 63.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.58 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 171' ' ' GLN . . . . . 0.53 ' NE2' ' OG1' ' A' ' 172' ' ' THR . 5.5 pp0? -47.37 -13.83 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.556 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 172' ' ' THR . . . . . 0.53 ' OG1' ' NE2' ' A' ' 171' ' ' GLN . 5.5 m -87.34 -29.58 21.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.493 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 173' ' ' VAL . . . . . 0.613 HG23 ' O ' ' A' ' 170' ' ' TRP . 2.0 m -71.94 -45.68 63.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.604 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 174' ' ' THR . . . . . 0.566 ' N ' ' CG2' ' A' ' 173' ' ' VAL . 24.9 m -64.51 -25.04 67.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.526 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 175' ' ' ILE . . . . . 0.42 HG23 ' O ' ' A' ' 172' ' ' THR . 1.6 tt -85.68 -7.62 10.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.57 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 176' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -94.48 -60.17 1.78 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.617 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 3.0 m -62.02 -16.71 16.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.586 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 178' ' ' ALA . . . . . 0.63 ' O ' ' OG1' ' A' ' 182' ' ' THR . . . -95.51 -45.92 6.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.608 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -62.28 -26.18 67.52 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 180' ' ' VAL . . . . . 0.52 ' CG1' ' N ' ' A' ' 181' ' ' LEU . 13.7 p -86.26 -51.73 12.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.793 0.33 . . . . 0.0 110.553 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 181' ' ' LEU . . . . . 0.52 ' N ' ' CG1' ' A' ' 180' ' ' VAL . 41.3 tp -69.27 -48.01 62.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.553 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 182' ' ' THR . . . . . 0.63 ' OG1' ' O ' ' A' ' 178' ' ' ALA . 26.1 m -50.53 -51.26 49.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.597 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -47.47 -45.63 26.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.547 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 184' ' ' SER . . . . . . . . . . . . . 27.5 t -54.52 -37.77 65.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.616 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 61.6 mt -77.7 -21.68 51.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.569 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 21.0 m -73.27 -44.83 58.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.524 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 187' ' ' ILE . . . . . 0.505 ' O ' ' C ' ' A' ' 188' ' ' TRP . 12.5 tt -73.68 -51.59 24.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.614 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 188' ' ' TRP . . . . . 0.505 ' C ' ' O ' ' A' ' 187' ' ' ILE . 0.2 OUTLIER -30.75 -56.94 0.22 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.593 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 8.0 mmtt -175.75 128.29 0.24 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.581 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 190' ' ' LYS . . . . . . . . . . . . . 14.8 ptmt -109.91 89.53 3.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.564 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 191' ' ' MET . . . . . . . . . . . . . 83.7 mtp -128.62 136.57 50.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.609 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.711 0 CA-C-O 118.04 -1.422 . . . . 0.0 110.938 -179.934 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 1.092 ' O ' HD11 ' A' ' 19' ' ' ILE . 2.9 p . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.737 0.303 . . . . 0.0 110.61 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.428 ' H ' ' HB2' ' A' ' 15' ' ' SER . 49.3 m -99.88 -13.25 19.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.597 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -84.83 -47.94 9.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.47 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.516 ' CD ' ' O ' ' A' ' 18' ' ' GLN . 20.5 tm0? -66.46 -23.1 66.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.582 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 1.092 HD11 ' O ' ' A' ' 15' ' ' SER . 93.8 mt -82.02 -55.26 8.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.51 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.42 ' SD ' ' C ' ' A' ' 20' ' ' MET . 10.2 tmm? -52.82 -37.15 59.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.527 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 29.0 ttmt -66.77 -47.06 73.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.453 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 92.8 m -71.35 -7.99 50.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.566 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -79.54 -54.23 4.06 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.44 -8.96 59.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.804 0.335 . . . . 0.0 110.522 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.548 ' O ' ' C ' ' A' ' 26' ' ' LEU . 23.0 mt -86.88 -80.49 0.24 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.613 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.548 ' C ' ' O ' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -27.07 -65.71 0.07 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.642 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.421 ' C ' ' N ' ' A' ' 29' ' ' GLY . 6.2 tp -51.23 -57.8 7.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.598 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.529 ' NE2' ' C ' ' A' ' 28' ' ' GLN . 0.0 OUTLIER -47.48 -18.0 0.11 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.539 -179.947 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.541 ' O ' ' N ' ' A' ' 31' ' ' ILE . . . -88.7 -72.65 1.28 Allowed Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 42.0 t80 -42.15 -18.91 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.839 0.352 . . . . 0.0 110.623 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.541 ' N ' ' O ' ' A' ' 29' ' ' GLY . 73.8 mt -76.96 -69.2 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.575 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -78.99 30.14 0.21 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.589 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.448 ' H ' ' C ' ' A' ' 31' ' ' ILE . 66.4 t0 -113.06 -50.78 2.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.589 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 15.2 ptm180 -91.57 -26.74 18.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.599 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -99.01 -13.63 19.81 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.596 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.638 0 N-CA-C 110.986 -0.845 . . . . 0.0 110.986 179.95 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo . . . . . 0 N--CA 1.491 1.349 0 CA-C-O 120.734 0.222 . . . . 0.0 112.115 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 75.1 mt-10 -92.48 -11.86 33.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.565 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.402 HD13 ' O ' ' A' ' 45' ' ' LEU . 0.3 OUTLIER -98.85 63.54 1.39 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.592 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.423 ' O ' ' HB2' ' A' ' 47' ' ' LEU . . . -70.94 141.09 51.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.529 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.423 ' HB2' ' O ' ' A' ' 46' ' ' ALA . 56.2 tp . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.544 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.798 0.332 . . . . 0.0 110.591 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -80.18 -1.03 38.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.542 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 11.4 t -60.12 -39.84 87.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.592 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.8 p -81.97 -34.0 29.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.572 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 66.5 mmtt -50.17 -54.87 17.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.586 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -59.84 -47.77 84.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.629 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.8 mp -61.94 -26.28 68.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.491 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.4 t -71.37 -35.38 71.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.566 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -63.84 -31.72 73.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.545 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 95.3 m -64.35 -37.74 88.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.572 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 11.2 mp -75.3 -24.76 57.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.53 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 25.1 ttpp -84.22 -36.68 22.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.59 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -68.46 -44.5 74.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.529 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 18.4 tt -76.43 -35.13 26.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.555 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.425 ' O ' ' CB ' ' A' ' 71' ' ' ASP . . . -61.06 -45.42 96.62 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.421 ' OD1' ' O ' ' A' ' 68' ' ' ASP . 68.0 t0 -62.78 -34.21 76.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.748 0.309 . . . . 0.0 110.592 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 41.8 tp10 -79.71 -58.49 3.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.597 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 2.1 mt -55.09 -43.13 73.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.559 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.436 ' OD1' ' O ' ' A' ' 71' ' ' ASP . 55.4 t0 -65.05 -8.78 17.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.593 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.9 t -96.33 7.07 47.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.572 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -92.9 111.48 23.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.597 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 6.9 ptt? -68.35 -11.24 59.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.543 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -80.32 -67.32 0.78 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.6 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 51.5 tp -59.82 -40.24 87.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.545 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 3.4 tm0? -61.82 -37.94 86.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.511 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 77.3 ttt180 -68.53 -44.89 73.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.5 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 73.5 mtp -54.59 -43.84 72.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.566 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.514 ' O ' HG12 ' A' ' 83' ' ' VAL . 84.8 mt -62.44 -23.68 32.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.566 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -86.03 -18.71 31.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.577 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -86.55 -15.02 41.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.592 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.613 ' O ' ' CG1' ' A' ' 83' ' ' VAL . 8.0 p -89.86 82.55 2.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.603 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.41 ' O ' ' O ' ' A' ' 83' ' ' VAL . 54.8 p-10 -40.84 162.06 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.536 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 87.8 m -119.39 120.53 37.15 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.62 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 29.8 t0 -149.0 -0.49 0.51 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.495 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.423 ' O ' HG11 ' A' ' 91' ' ' VAL . 44.9 t -175.41 87.27 0.3 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.487 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.503 ' O ' ' CB ' ' A' ' 92' ' ' PHE . 34.8 Cg_endo -67.86 -15.8 44.59 Favored 'Trans proline' 0 C--N 1.304 -1.765 0 C-N-CA 122.765 2.31 . . . . 0.0 112.106 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 15.3 ptt-85 -85.84 -34.51 21.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.501 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -78.85 -57.74 3.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.595 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.476 ' CG1' ' N ' ' A' ' 92' ' ' PHE . 9.2 p -57.32 -51.51 68.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.551 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.503 ' CB ' ' O ' ' A' ' 88' ' ' PRO . 74.4 t80 -45.84 -52.4 11.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.494 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 91.3 t80 -67.92 -30.0 69.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.581 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 16.2 tpp180 -71.8 -57.43 4.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.545 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.445 ' CG2' ' N ' ' A' ' 96' ' ' ALA . 26.6 m -59.93 -47.81 90.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.572 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.445 ' N ' ' CG2' ' A' ' 95' ' ' VAL . . . -55.2 -27.77 48.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.531 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -81.71 -38.86 25.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.544 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.407 ' O ' ' C ' ' A' ' 99' ' ' MET . 99.6 m-20 -63.3 -38.67 92.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.495 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' MET . . . . . 0.407 ' C ' ' O ' ' A' ' 98' ' ' ASP . 65.1 mtt -38.39 -68.75 0.14 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.639 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.663 ' CG ' ' NH2' ' A' ' 109' ' ' ARG . 9.2 p90 -111.35 57.49 0.63 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.614 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.2 t -74.61 -26.88 60.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.596 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . 0.534 ' O ' ' C ' ' A' ' 103' ' ' GLY . 54.1 p-10 -155.58 -18.3 0.11 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.561 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.534 ' C ' ' O ' ' A' ' 102' ' ' ASP . . . -26.43 -80.71 0.01 OUTLIER Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . 0.608 ' O ' ' CG ' ' A' ' 105' ' ' PHE . 9.2 m-20 174.53 34.42 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.749 0.309 . . . . 0.0 110.572 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.608 ' CG ' ' O ' ' A' ' 104' ' ' ASN . 29.5 p90 42.67 29.1 0.15 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.571 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . 0.538 ' OD1' ' NE ' ' A' ' 109' ' ' ARG . 5.1 p-10 -52.13 -110.47 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.582 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' TRP . . . . . 0.525 ' HB2' ' O ' ' A' ' 106' ' ' ASN . 6.7 t90 174.54 -26.12 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.561 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . 0.439 ' O ' HG13 ' A' ' 111' ' ' VAL . . . -50.06 -42.22 39.22 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . 0.695 ' CD ' ' H ' ' A' ' 109' ' ' ARG . 0.0 OUTLIER -47.98 -26.24 1.69 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.831 0.348 . . . . 0.0 110.624 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.473 HG23 ' NE1' ' A' ' 107' ' ' TRP . 34.6 t -52.4 -57.96 3.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.52 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.556 ' CG1' ' N ' ' A' ' 112' ' ' ALA . 4.6 p -45.28 -46.82 3.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.529 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.556 ' N ' ' CG1' ' A' ' 111' ' ' VAL . . . -58.11 -34.84 70.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.509 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.2 tt -56.99 -46.88 81.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.583 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -57.26 -43.96 83.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.557 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 92.3 t80 -67.94 -43.58 78.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.536 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 91.9 t80 -59.16 -41.78 89.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.529 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -71.0 -32.51 69.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.499 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 5.7 t -48.68 -44.28 37.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.553 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.82 ' O ' ' CB ' ' A' ' 123' ' ' LYS . 55.9 mmtt -59.8 -43.73 94.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.542 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 53.8 mt -68.02 -31.34 70.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.521 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.405 ' O ' ' CD1' ' A' ' 133' ' ' ILE . 53.8 t -77.11 -53.5 14.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.567 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 70.0 mt -72.87 -41.0 65.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.518 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.82 ' CB ' ' O ' ' A' ' 119' ' ' LYS . 62.6 tttm -58.04 -41.13 82.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.53 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.519 ' O ' ' OG1' ' A' ' 127' ' ' THR . . . -75.67 -21.83 57.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.551 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 6.2 tt -63.23 -32.18 73.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.554 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 85.0 m -83.2 -35.71 25.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.628 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' THR . . . . . 0.754 ' O ' ' HB2' ' A' ' 128' ' ' LYS . 36.7 p -53.66 -19.01 3.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.533 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . 0.754 ' HB2' ' O ' ' A' ' 127' ' ' THR . 64.2 mttm 87.15 45.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.532 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . 0.503 ' CG2' ' OG1' ' A' ' 127' ' ' THR . 0.2 OUTLIER -148.7 88.19 5.32 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.551 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -70.36 -13.14 32.85 Favored 'Trans proline' 0 C--N 1.307 -1.653 0 C-N-CA 122.769 2.312 . . . . 0.0 112.075 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -65.07 -41.28 95.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.536 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 8.4 mp -61.36 -34.5 75.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.41 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . 0.433 HD11 HG21 ' A' ' 133' ' ' ILE . 21.4 mm -56.14 -50.53 70.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.466 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 41.5 mtm105 -68.95 -34.9 76.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.509 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 16.8 m -67.25 -31.84 72.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.496 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 44.4 mt -69.78 -59.02 3.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.485 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 137' ' ' MET . . . . . 0.426 ' O ' ' OG1' ' A' ' 140' ' ' THR . 82.7 mtp -46.29 -25.43 0.63 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.537 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -68.81 -40.42 85.02 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -66.4 -24.37 66.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.871 0.367 . . . . 0.0 110.562 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 140' ' ' THR . . . . . 0.47 ' OG1' ' N ' ' A' ' 141' ' ' LEU . 22.4 p -75.57 -65.85 0.85 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.529 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . 0.47 ' N ' ' OG1' ' A' ' 140' ' ' THR . 54.2 mt -51.73 -33.69 35.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.525 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -65.73 -51.01 62.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.58 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . 0.447 ' O ' ' HB2' ' A' ' 147' ' ' ARG . 4.7 t80 -66.89 -38.82 86.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.551 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 1.8 tp -71.07 -35.52 71.91 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.568 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 58.8 ttp180 -82.97 -10.72 58.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.597 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -111.97 -4.62 14.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.536 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . 1.155 ' O ' ' N ' ' A' ' 149' ' ' LEU . 17.9 mtp180 -142.21 -110.84 0.13 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.604 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . 0.698 ' O ' ' N ' ' A' ' 152' ' ' ILE . 1.0 OUTLIER -15.42 -27.7 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.558 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . 1.155 ' N ' ' O ' ' A' ' 147' ' ' ARG . 46.6 tp -49.06 -56.36 9.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.542 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -63.97 -50.57 59.88 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 151' ' ' TRP . . . . . . . . . . . . . 99.5 m95 -66.23 -55.84 14.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.804 0.335 . . . . 0.0 110.595 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 152' ' ' ILE . . . . . 0.698 ' N ' ' O ' ' A' ' 148' ' ' LEU . 10.1 tt -51.33 -34.32 14.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.564 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -67.44 -31.39 71.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.535 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -88.91 -4.6 58.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.543 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -97.41 0.78 48.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.591 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 83.66 24.65 49.29 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 89.81 -160.42 28.73 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . 52.7 m95 -73.92 -5.57 41.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.768 0.318 . . . . 0.0 110.569 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 159' ' ' ASP . . . . . 0.403 ' C ' ' OD1' ' A' ' 159' ' ' ASP . 62.4 t0 -60.9 -42.48 98.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.579 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -54.43 -32.13 52.04 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 2.0 tt -62.92 -54.07 44.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.816 0.341 . . . . 0.0 110.514 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 43.8 tp -67.1 -31.05 71.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.539 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 21.3 t -66.77 -26.25 66.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.633 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 164' ' ' TYR . . . . . 0.419 ' C ' ' H ' ' A' ' 166' ' ' GLY . 90.3 t80 -76.64 -42.67 41.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.556 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -71.66 48.13 0.15 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.539 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 166' ' ' GLY . . . . . 0.419 ' H ' ' C ' ' A' ' 164' ' ' TYR . . . -131.11 39.17 1.82 Allowed Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 167' ' ' THR . . . . . 0.919 ' OG1' ' HD2' ' A' ' 168' ' ' PRO . 0.6 OUTLIER -108.73 -179.99 0.77 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 120.935 0.398 . . . . 0.0 110.523 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 168' ' ' PRO . . . . . 1.451 ' CD ' ' HD3' ' A' ' 168' ' ' PRO . 50.9 Cg_endo -73.17 -146.26 0.02 OUTLIER 'Trans proline' 0 C--N 1.306 -1.677 0 C-N-CA 122.743 2.295 . . . . 0.0 112.068 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 169' ' ' THR . . . . . 0.595 ' C ' ' O ' ' A' ' 168' ' ' PRO . 4.1 p -22.57 101.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.522 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 170' ' ' TRP . . . . . 0.621 ' O ' HG23 ' A' ' 173' ' ' VAL . 28.3 p90 -65.08 -18.39 65.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.627 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 171' ' ' GLN . . . . . 0.532 ' NE2' ' OG1' ' A' ' 172' ' ' THR . 4.5 pp0? -47.43 -14.16 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.542 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 172' ' ' THR . . . . . 0.532 ' OG1' ' NE2' ' A' ' 171' ' ' GLN . 97.1 m -86.89 -29.49 22.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.53 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 173' ' ' VAL . . . . . 0.621 HG23 ' O ' ' A' ' 170' ' ' TRP . 2.0 m -72.14 -45.61 61.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.59 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 174' ' ' THR . . . . . 0.564 ' N ' ' CG2' ' A' ' 173' ' ' VAL . 24.9 m -64.55 -24.96 67.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.584 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 175' ' ' ILE . . . . . 0.434 HG23 ' O ' ' A' ' 172' ' ' THR . 1.8 tt -85.73 -7.55 10.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.574 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 176' ' ' PHE . . . . . . . . . . . . . 62.3 t80 -94.59 -60.12 1.78 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.568 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 3.1 m -62.11 -16.62 16.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.623 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 178' ' ' ALA . . . . . 0.633 ' O ' ' OG1' ' A' ' 182' ' ' THR . . . -95.58 -46.02 6.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.487 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -62.24 -26.23 67.51 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 180' ' ' VAL . . . . . 0.52 ' CG1' ' N ' ' A' ' 181' ' ' LEU . 13.6 p -86.17 -51.83 12.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.826 0.346 . . . . 0.0 110.554 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 181' ' ' LEU . . . . . 0.52 ' N ' ' CG1' ' A' ' 180' ' ' VAL . 45.9 tp -69.24 -48.06 62.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.557 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 182' ' ' THR . . . . . 0.633 ' OG1' ' O ' ' A' ' 178' ' ' ALA . 25.7 m -50.39 -51.46 46.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.546 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -47.27 -45.77 24.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.581 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 184' ' ' SER . . . . . . . . . . . . . 29.4 t -54.37 -37.94 65.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.556 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 66.1 mt -77.63 -21.73 51.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.564 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 21.9 m -73.28 -44.81 58.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.538 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 187' ' ' ILE . . . . . 0.506 ' O ' ' C ' ' A' ' 188' ' ' TRP . 12.3 tt -73.63 -51.63 24.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.585 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 188' ' ' TRP . . . . . 0.506 ' C ' ' O ' ' A' ' 187' ' ' ILE . 0.2 OUTLIER -30.77 -56.93 0.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.57 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 7.6 mmtt -175.71 128.28 0.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.572 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 190' ' ' LYS . . . . . . . . . . . . . 16.4 pttm -109.9 89.52 3.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.555 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 191' ' ' MET . . . . . . . . . . . . . 93.0 mtp -128.6 136.62 50.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.576 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.717 0 CA-C-O 118.023 -1.432 . . . . 0.0 110.866 -179.965 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.728 ' O ' HD11 ' A' ' 19' ' ' ILE . 2.6 p . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.823 0.344 . . . . 0.0 110.612 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.421 ' H ' ' HB2' ' A' ' 15' ' ' SER . 8.5 m -88.38 -9.48 52.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.56 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -79.94 -51.53 8.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.505 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.472 ' CD ' ' O ' ' A' ' 18' ' ' GLN . 22.2 tm0? -66.99 -24.26 66.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.494 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.728 HD11 ' O ' ' A' ' 15' ' ' SER . 93.9 mt -81.64 -55.45 7.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.535 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 53.0 ttp -53.06 -36.69 60.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.528 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.411 ' O ' ' HB2' ' A' ' 25' ' ' LEU . 34.4 mmtm -67.19 -46.21 74.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.516 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.467 ' HG1' ' NE2' ' A' ' 18' ' ' GLN . 32.0 m -72.31 -7.85 51.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.463 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -79.64 -53.97 4.13 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.537 ' O ' ' OE1' ' A' ' 28' ' ' GLN . . . -78.46 -9.07 59.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.762 0.315 . . . . 0.0 110.48 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.547 ' O ' ' C ' ' A' ' 26' ' ' LEU . 2.1 mp -86.86 -80.62 0.24 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.544 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.547 ' C ' ' O ' ' A' ' 25' ' ' LEU . 55.9 tp -26.97 -65.73 0.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.636 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.529 ' O ' HG12 ' A' ' 31' ' ' ILE . 6.3 tt -51.21 -57.93 7.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.541 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.537 ' OE1' ' O ' ' A' ' 24' ' ' ALA . 1.8 mp0 -47.42 -18.17 0.11 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.58 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.537 ' O ' ' N ' ' A' ' 31' ' ' ILE . . . -88.44 -72.67 1.28 Allowed Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 41.9 t80 -42.21 -18.93 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.828 0.347 . . . . 0.0 110.607 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.537 ' N ' ' O ' ' A' ' 29' ' ' GLY . 31.0 mm -76.95 -69.08 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.595 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.589 ' HG2' ' O ' ' A' ' 32' ' ' GLN . 49.7 tt0 -79.03 30.14 0.21 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.548 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.448 ' H ' ' C ' ' A' ' 31' ' ' ILE . 67.4 t0 -113.08 -50.88 2.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.586 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.47 ' NH2' ' OD2' ' A' ' 71' ' ' ASP . 14.6 ptm180 -91.5 -26.49 18.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.588 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -99.76 -12.3 20.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.525 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.687 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 -179.946 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo . . . . . 0 N--CA 1.491 1.373 0 CA-C-O 120.833 0.264 . . . . 0.0 112.131 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -77.3 -16.08 59.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.606 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.424 HD22 ' O ' ' A' ' 28' ' ' GLN . 18.5 tp -93.16 67.82 4.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.519 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.564 ' O ' ' CB ' ' A' ' 47' ' ' LEU . . . -87.92 127.53 35.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.535 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.564 ' CB ' ' O ' ' A' ' 46' ' ' ALA . 22.5 tp . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.569 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 48.3 p-10 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.751 0.31 . . . . 0.0 110.533 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -78.46 -0.78 30.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.573 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 23.0 m -65.61 -39.52 91.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.564 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 12.5 t -83.74 -34.01 24.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.525 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -49.06 -55.11 13.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.552 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 30.0 ttpt -59.42 -48.51 81.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.587 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.402 ' CD2' ' O ' ' A' ' 59' ' ' LEU . 0.8 OUTLIER -61.2 -26.12 67.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.625 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.6 t -71.52 -35.31 70.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.527 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.09 -31.59 72.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.593 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 94.0 m -64.39 -37.75 88.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.532 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.427 ' CD1' ' N ' ' A' ' 63' ' ' LEU . 9.0 mp -75.41 -24.57 57.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.588 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 65.3 tttp -84.2 -36.81 22.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.595 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.425 ' O ' ' OE2' ' A' ' 69' ' ' GLU . 79.5 ttt180 -68.26 -44.88 74.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.591 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 18.8 tt -76.06 -35.2 28.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.586 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.424 ' O ' ' CB ' ' A' ' 71' ' ' ASP . . . -60.79 -45.5 96.34 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.418 ' OD1' ' O ' ' A' ' 68' ' ' ASP . 68.5 t0 -62.79 -34.39 77.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.804 0.335 . . . . 0.0 110.54 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.549 ' OE1' ' N ' ' A' ' 69' ' ' GLU . 0.3 OUTLIER -79.51 -58.69 3.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.527 -179.952 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 2.1 mt -55.01 -43.05 73.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.593 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.47 ' OD2' ' NH2' ' A' ' 34' ' ' ARG . 55.8 t0 -65.07 -8.72 17.66 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.581 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.5 t -96.39 7.06 47.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.6 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -93.0 111.36 22.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.576 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 98.1 mmm -68.23 -11.21 58.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.58 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -80.41 -67.23 0.79 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.571 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 54.9 tp -59.81 -40.27 87.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.585 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 7.2 tm0? -61.87 -37.86 86.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.579 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 76.1 ttt180 -68.6 -44.83 73.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.578 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 74.0 mtp -54.55 -43.96 72.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.536 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.516 ' O ' HG12 ' A' ' 83' ' ' VAL . 84.0 mt -62.31 -23.7 32.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.519 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -86.09 -18.67 31.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.541 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -86.4 -15.48 40.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.585 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.612 ' O ' ' CG1' ' A' ' 83' ' ' VAL . 8.2 p -89.35 82.81 2.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.522 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.423 ' O ' ' O ' ' A' ' 83' ' ' VAL . 53.0 p-10 -40.62 162.43 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.552 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 72.8 p -119.63 119.99 35.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.585 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -148.9 -0.2 0.52 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.445 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.426 ' O ' HG11 ' A' ' 91' ' ' VAL . 45.8 t -175.83 88.6 0.29 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.493 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.495 ' O ' ' CB ' ' A' ' 92' ' ' PHE . 37.5 Cg_endo -69.27 -15.17 38.72 Favored 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.787 2.325 . . . . 0.0 112.116 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 16.8 ptt-85 -86.51 -33.95 20.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.573 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -79.55 -57.26 3.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.58 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.468 ' CG1' ' N ' ' A' ' 92' ' ' PHE . 9.0 p -57.7 -51.1 74.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.501 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.495 ' CB ' ' O ' ' A' ' 88' ' ' PRO . 85.7 t80 -46.3 -52.06 13.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.471 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -67.97 -30.38 69.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.529 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 16.0 tpp180 -71.58 -57.95 3.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.503 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.445 ' CG2' ' N ' ' A' ' 96' ' ' ALA . 27.2 m -59.33 -48.04 88.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.567 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.445 ' N ' ' CG2' ' A' ' 95' ' ' VAL . . . -55.2 -27.61 47.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.581 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -81.93 -38.89 24.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.518 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 99' ' ' MET . 99.1 m-20 -63.1 -38.73 92.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.581 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' MET . . . . . 0.496 ' HB2' HH21 ' A' ' 109' ' ' ARG . 64.7 mtt -38.36 -68.81 0.14 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.594 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.6 ' CD2' ' O ' ' A' ' 100' ' ' PHE . 16.3 p90 -111.29 57.48 0.63 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.568 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.2 t -74.72 -26.76 60.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.552 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . 0.532 ' O ' ' C ' ' A' ' 103' ' ' GLY . 54.6 p-10 -155.64 -18.35 0.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.52 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.532 ' C ' ' O ' ' A' ' 102' ' ' ASP . . . -26.25 -80.71 0.01 OUTLIER Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . 0.606 ' O ' ' CG ' ' A' ' 105' ' ' PHE . 10.1 m-20 174.49 34.36 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.795 0.331 . . . . 0.0 110.597 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.606 ' CG ' ' O ' ' A' ' 104' ' ' ASN . 27.8 p90 42.67 29.0 0.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.616 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . 0.544 ' CG ' ' H ' ' A' ' 107' ' ' TRP . 28.2 p30 -52.07 -110.46 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.559 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' TRP . . . . . 0.544 ' H ' ' CG ' ' A' ' 106' ' ' ASN . 6.5 t90 174.67 -26.28 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.542 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . 0.438 ' O ' HG13 ' A' ' 111' ' ' VAL . . . -50.14 -42.06 39.65 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . 0.496 HH21 ' HB2' ' A' ' 99' ' ' MET . 0.0 OUTLIER -48.1 -26.2 1.76 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.847 0.356 . . . . 0.0 110.506 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.48 ' N ' ' HD3' ' A' ' 109' ' ' ARG . 36.5 t -52.49 -57.93 3.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.553 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.554 ' CG1' ' N ' ' A' ' 112' ' ' ALA . 4.7 p -45.24 -46.79 3.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.578 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.554 ' N ' ' CG1' ' A' ' 111' ' ' VAL . . . -58.09 -34.98 70.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.525 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 1.9 tt -57.0 -46.87 81.96 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.557 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -57.16 -44.05 83.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.495 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 93.1 t80 -68.01 -43.63 78.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.508 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 93.2 t80 -59.0 -41.79 88.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.58 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -71.03 -32.53 69.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.56 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 5.3 t -48.6 -44.43 37.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.581 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.818 ' O ' ' CB ' ' A' ' 123' ' ' LYS . 57.8 mmtt -59.63 -43.71 93.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.497 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 52.6 mt -68.02 -31.57 71.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.544 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.402 ' O ' ' CD1' ' A' ' 133' ' ' ILE . 55.8 t -76.84 -53.5 14.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.602 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 70.7 mt -72.89 -41.0 65.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.493 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.818 ' CB ' ' O ' ' A' ' 119' ' ' LYS . 65.4 tttm -58.01 -41.25 82.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.571 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.535 ' O ' ' OG1' ' A' ' 127' ' ' THR . . . -75.44 -22.23 57.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.504 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 37.5 tp -62.9 -32.4 73.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.548 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 1.6 t -82.9 -36.02 25.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.55 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' THR . . . . . 0.767 ' O ' ' HB2' ' A' ' 128' ' ' LYS . 33.2 p -53.21 -19.15 2.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.59 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . 0.767 ' HB2' ' O ' ' A' ' 127' ' ' THR . 66.3 mttm 87.62 44.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.584 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . 0.482 ' CG2' ' OG1' ' A' ' 127' ' ' THR . 0.5 OUTLIER -147.74 89.53 5.34 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.601 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -71.6 -13.73 30.09 Favored 'Trans proline' 0 C--N 1.304 -1.774 0 C-N-CA 122.713 2.275 . . . . 0.0 112.006 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -65.06 -40.68 95.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.555 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 8.6 mp -61.57 -34.08 74.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.472 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . 0.419 HD13 HG21 ' A' ' 133' ' ' ILE . 21.2 mm -56.81 -50.16 76.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.489 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 78.9 mtp85 -69.09 -34.81 75.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.543 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 7.2 m -67.2 -31.89 72.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.514 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 39.2 mt -69.9 -58.78 4.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.512 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 137' ' ' MET . . . . . 0.432 ' O ' ' OG1' ' A' ' 140' ' ' THR . 12.2 mtp -46.45 -25.53 0.68 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.52 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -68.69 -40.45 85.55 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 139' ' ' TRP . . . . . 0.518 ' CD1' ' N ' ' A' ' 139' ' ' TRP . 11.9 m0 -66.36 -24.42 66.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.756 0.313 . . . . 0.0 110.508 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 140' ' ' THR . . . . . 0.551 ' HG1' ' N ' ' A' ' 141' ' ' LEU . 23.4 p -75.51 -65.93 0.84 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.526 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . 0.551 ' N ' ' HG1' ' A' ' 140' ' ' THR . 53.4 mt -51.71 -33.71 35.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.48 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -65.65 -51.12 61.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.577 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . 0.527 ' O ' ' HB2' ' A' ' 147' ' ' ARG . 39.1 t80 -66.86 -38.81 87.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.568 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 1.4 tp -71.12 -35.45 71.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.535 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 59.1 ttp180 -83.06 -10.66 58.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.549 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -111.98 -4.66 14.46 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.569 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . 1.151 ' O ' ' N ' ' A' ' 149' ' ' LEU . 0.7 OUTLIER -142.18 -110.89 0.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.572 -179.902 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . 0.697 ' O ' ' N ' ' A' ' 152' ' ' ILE . 1.0 OUTLIER -15.4 -27.83 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.561 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . 1.151 ' N ' ' O ' ' A' ' 147' ' ' ARG . 42.2 tp -49.02 -56.37 9.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.567 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -63.8 -50.67 59.64 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 151' ' ' TRP . . . . . . . . . . . . . 95.5 m95 -66.29 -55.82 14.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.784 0.326 . . . . 0.0 110.559 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 152' ' ' ILE . . . . . 0.697 ' N ' ' O ' ' A' ' 148' ' ' LEU . 9.5 tt -51.37 -34.21 14.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.581 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 55.8 tt0 -67.48 -31.2 71.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.594 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -89.21 -4.54 58.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.574 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -97.4 0.63 48.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.548 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 83.81 24.71 48.49 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 89.71 -160.36 28.82 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . 65.0 m95 -73.85 -5.61 42.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.76 0.315 . . . . 0.0 110.615 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -60.98 -42.36 98.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.569 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -54.4 -32.19 51.89 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 2.0 tt -62.95 -53.99 45.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.818 0.342 . . . . 0.0 110.58 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 56.3 tp -67.06 -31.05 71.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.606 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 5.3 t -66.79 -26.47 66.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.475 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 164' ' ' TYR . . . . . 0.423 ' C ' ' H ' ' A' ' 166' ' ' GLY . 94.3 t80 -76.39 -42.78 43.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.553 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -71.64 47.82 0.14 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.518 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 166' ' ' GLY . . . . . 0.423 ' H ' ' C ' ' A' ' 164' ' ' TYR . . . -130.58 38.6 1.92 Allowed Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 167' ' ' THR . . . . . 1.072 ' OG1' ' HD2' ' A' ' 168' ' ' PRO . 0.6 OUTLIER -108.04 -179.33 0.68 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 120.915 0.388 . . . . 0.0 110.611 179.953 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 168' ' ' PRO . . . . . 1.072 ' HD2' ' OG1' ' A' ' 167' ' ' THR . 56.1 Cg_endo -74.41 -146.71 0.03 OUTLIER 'Trans proline' 0 C--N 1.304 -1.768 0 C-N-CA 122.891 2.394 . . . . 0.0 112.073 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 169' ' ' THR . . . . . 0.6 ' C ' ' O ' ' A' ' 168' ' ' PRO . 32.9 p -21.65 100.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.492 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 170' ' ' TRP . . . . . 0.614 ' O ' HG23 ' A' ' 173' ' ' VAL . 29.5 p90 -64.49 -18.46 64.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.613 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 171' ' ' GLN . . . . . 0.547 ' NE2' ' OG1' ' A' ' 172' ' ' THR . 5.4 pp0? -47.31 -14.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.524 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 172' ' ' THR . . . . . 0.547 ' OG1' ' NE2' ' A' ' 171' ' ' GLN . 99.4 m -87.13 -29.46 21.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.504 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 173' ' ' VAL . . . . . 0.614 HG23 ' O ' ' A' ' 170' ' ' TRP . 2.0 m -72.18 -45.61 61.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.529 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 174' ' ' THR . . . . . 0.566 ' N ' ' CG2' ' A' ' 173' ' ' VAL . 25.1 m -64.59 -24.87 67.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.541 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 175' ' ' ILE . . . . . 0.425 HG23 ' O ' ' A' ' 172' ' ' THR . 1.8 tt -85.79 -7.61 10.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.544 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 176' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -94.52 -60.14 1.78 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.603 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 3.2 m -62.07 -16.75 16.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.516 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 178' ' ' ALA . . . . . 0.632 ' O ' ' OG1' ' A' ' 182' ' ' THR . . . -95.58 -45.86 6.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.567 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -62.36 -26.16 67.64 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 180' ' ' VAL . . . . . 0.52 ' CG1' ' N ' ' A' ' 181' ' ' LEU . 13.7 p -86.25 -51.65 12.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.783 0.325 . . . . 0.0 110.601 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 181' ' ' LEU . . . . . 0.52 ' N ' ' CG1' ' A' ' 180' ' ' VAL . 40.6 tp -69.33 -47.93 62.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.573 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 182' ' ' THR . . . . . 0.632 ' OG1' ' O ' ' A' ' 178' ' ' ALA . 25.8 m -50.54 -51.32 48.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.551 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -47.45 -45.68 26.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.561 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 184' ' ' SER . . . . . . . . . . . . . 27.5 t -54.47 -37.9 65.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.559 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 61.2 mt -77.55 -21.83 51.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.556 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 21.8 m -73.2 -44.87 59.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.539 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 187' ' ' ILE . . . . . 0.506 ' O ' ' C ' ' A' ' 188' ' ' TRP . 12.5 tt -73.76 -51.46 24.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.634 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 188' ' ' TRP . . . . . 0.506 ' C ' ' O ' ' A' ' 187' ' ' ILE . 0.1 OUTLIER -30.81 -56.94 0.22 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.523 179.94 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 8.0 mmtt -175.71 128.24 0.24 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.538 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 190' ' ' LYS . . . . . . . . . . . . . 14.8 ptmt -109.81 89.56 3.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.679 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 191' ' ' MET . . . . . . . . . . . . . 83.8 mtp -128.64 136.55 50.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.539 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.804 0 CA-C-O 117.996 -1.447 . . . . 0.0 110.941 179.977 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 1.026 ' O ' HD11 ' A' ' 19' ' ' ILE . 10.2 p . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.845 0.355 . . . . 0.0 110.598 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 58.2 m -98.74 -14.58 19.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.569 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -93.03 -50.55 5.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.572 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.426 ' NE2' ' OG1' ' A' ' 22' ' ' THR . 15.3 tm0? -55.82 -32.84 63.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.647 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 1.026 HD11 ' O ' ' A' ' 15' ' ' SER . 88.1 mt -75.06 -51.13 22.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.645 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 54.8 ttp -57.39 -36.22 71.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.709 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.0 mtpp -68.11 -43.78 77.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.708 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.426 ' OG1' ' NE2' ' A' ' 18' ' ' GLN . 46.8 m -72.78 -13.64 61.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.635 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -74.85 -54.14 6.0 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.05 -10.89 59.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.797 0.332 . . . . 0.0 110.644 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.532 ' O ' ' C ' ' A' ' 26' ' ' LEU . 36.9 mt -86.31 -78.7 0.27 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.598 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.532 ' C ' ' O ' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -28.69 -64.69 0.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.663 179.933 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.405 ' C ' ' N ' ' A' ' 29' ' ' GLY . 6.0 tp -52.34 -56.72 12.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.641 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.449 ' O ' ' OE1' ' A' ' 28' ' ' GLN . 0.9 OUTLIER -48.49 -18.1 0.21 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.579 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.531 ' O ' ' N ' ' A' ' 31' ' ' ILE . . . -88.63 -72.29 1.27 Allowed Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 41.9 t80 -42.51 -18.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.789 0.328 . . . . 0.0 110.532 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.531 ' N ' ' O ' ' A' ' 29' ' ' GLY . 87.1 mt -76.94 -68.95 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.613 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.555 ' O ' ' HG3' ' A' ' 32' ' ' GLN . 55.4 tp60 -79.06 29.8 0.21 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.533 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.449 ' H ' ' C ' ' A' ' 31' ' ' ILE . 59.3 t0 -112.76 -51.17 2.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.529 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 -91.21 -27.02 18.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.536 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -98.89 -13.05 20.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.576 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.705 0 N-CA-C 110.845 -0.902 . . . . 0.0 110.845 179.973 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo . . . . . 0 N--CA 1.49 1.301 0 CA-C-O 120.834 0.264 . . . . 0.0 112.074 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 51.3 mp0 -91.83 -13.01 32.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.615 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.44 ' HG ' ' O ' ' A' ' 45' ' ' LEU . 43.3 tp -97.5 61.23 1.64 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.596 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.531 ' O ' ' HB2' ' A' ' 47' ' ' LEU . . . -66.83 143.89 56.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.535 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.531 ' HB2' ' O ' ' A' ' 46' ' ' ALA . 3.3 tp . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.51 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 68.2 t0 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.73 0.3 . . . . 0.0 110.579 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -79.66 1.77 25.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.603 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 44.0 m -62.31 -38.92 91.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.544 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 76.9 p -83.98 -34.17 24.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.596 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -49.19 -55.26 13.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.595 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -59.31 -48.51 81.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.61 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.26 -26.07 67.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.605 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.5 t -71.57 -35.27 70.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.508 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 76.1 mt-10 -64.09 -31.58 72.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.539 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 90.8 m -64.47 -37.67 88.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.498 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 10.1 mp -75.41 -24.61 57.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.577 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -84.32 -36.6 22.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.626 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.428 ' O ' ' OE2' ' A' ' 69' ' ' GLU . 99.7 mtt180 -68.52 -44.5 74.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.556 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 20.6 tt -76.42 -35.07 26.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.638 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.425 ' O ' ' CB ' ' A' ' 71' ' ' ASP . . . -61.02 -45.41 96.65 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -62.68 -34.37 76.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.782 0.325 . . . . 0.0 110.59 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.549 ' OE1' ' N ' ' A' ' 69' ' ' GLU . 0.3 OUTLIER -79.63 -58.45 3.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.596 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.16 -43.11 73.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.514 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.425 ' CB ' ' O ' ' A' ' 67' ' ' GLY . 38.7 t70 -64.97 -8.83 17.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.561 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.9 t -96.38 7.05 47.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.525 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -92.93 111.44 23.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.578 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 41.8 ttp -68.33 -11.12 59.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.513 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -80.44 -67.21 0.79 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.549 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 7.2 tp -59.82 -40.28 87.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.598 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 8.3 tm0? -61.85 -37.9 86.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.552 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 74.2 ttt180 -68.49 -44.9 73.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.587 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 74.1 mtp -54.56 -43.8 72.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.588 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.505 ' O ' HG12 ' A' ' 83' ' ' VAL . 84.4 mt -62.4 -23.73 33.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.531 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -86.06 -18.64 31.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.619 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -86.6 -15.15 40.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.569 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.621 ' O ' ' CG1' ' A' ' 83' ' ' VAL . 7.3 p -89.66 82.68 2.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.608 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.411 ' O ' ' O ' ' A' ' 83' ' ' VAL . 55.4 p-10 -40.73 161.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.524 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 67.3 p -119.23 119.65 34.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.549 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -148.4 -0.15 0.57 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.472 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.406 ' O ' HG11 ' A' ' 91' ' ' VAL . 37.1 t -175.84 87.69 0.29 Allowed Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.545 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.497 ' O ' ' CB ' ' A' ' 92' ' ' PHE . 36.3 Cg_endo -68.28 -15.4 42.39 Favored 'Trans proline' 0 C--N 1.305 -1.76 0 C-N-CA 122.829 2.353 . . . . 0.0 112.065 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 33.6 ptt-85 -85.66 -35.6 20.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.532 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -78.13 -58.38 3.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.567 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.485 ' CG1' ' N ' ' A' ' 92' ' ' PHE . 10.2 p -56.28 -51.71 60.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.538 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.497 ' CB ' ' O ' ' A' ' 88' ' ' PRO . 85.9 t80 -45.84 -52.43 11.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.503 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -67.74 -30.61 70.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.474 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 15.9 tpp180 -71.33 -58.0 3.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.582 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.447 ' CG2' ' N ' ' A' ' 96' ' ' ALA . 28.4 m -59.36 -48.05 88.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.538 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.447 ' N ' ' CG2' ' A' ' 95' ' ' VAL . . . -55.13 -27.72 47.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.529 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -81.76 -38.89 24.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.571 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.41 ' O ' ' C ' ' A' ' 99' ' ' MET . 99.7 m-20 -63.22 -38.64 91.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.537 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' MET . . . . . 0.496 ' HB2' HH21 ' A' ' 109' ' ' ARG . 63.9 mtt -38.29 -68.92 0.14 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.554 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.601 ' CD2' ' O ' ' A' ' 100' ' ' PHE . 16.5 p90 -111.3 57.51 0.63 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.531 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.4 t -74.64 -26.83 60.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.533 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . 0.552 ' O ' ' C ' ' A' ' 103' ' ' GLY . 55.7 p-10 -155.59 -18.4 0.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.59 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.552 ' C ' ' O ' ' A' ' 102' ' ' ASP . . . -26.3 -80.72 0.01 OUTLIER Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . 0.608 ' O ' ' CG ' ' A' ' 105' ' ' PHE . 10.6 m-20 174.5 34.44 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.841 0.353 . . . . 0.0 110.522 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.608 ' CG ' ' O ' ' A' ' 104' ' ' ASN . 30.7 p90 42.61 29.19 0.15 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.541 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . 0.549 ' CG ' ' H ' ' A' ' 107' ' ' TRP . 28.5 p30 -52.16 -110.43 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.541 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' TRP . . . . . 0.549 ' H ' ' CG ' ' A' ' 106' ' ' ASN . 6.4 t90 174.53 -26.22 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.522 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . 0.445 ' O ' HG13 ' A' ' 111' ' ' VAL . . . -50.06 -42.16 39.13 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . 0.496 HH21 ' HB2' ' A' ' 99' ' ' MET . 0.0 OUTLIER -48.14 -26.1 1.74 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.764 0.316 . . . . 0.0 110.494 -179.921 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.484 HG23 ' NE1' ' A' ' 107' ' ' TRP . 37.4 t -52.63 -57.84 3.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.569 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.552 ' CG1' ' N ' ' A' ' 112' ' ' ALA . 4.8 p -45.3 -46.78 3.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.589 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.552 ' N ' ' CG1' ' A' ' 111' ' ' VAL . . . -58.13 -34.87 70.71 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.513 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 1.8 tt -56.95 -46.88 81.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.523 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -57.25 -43.99 83.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.554 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 91.9 t80 -68.0 -43.62 78.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.446 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 92.9 t80 -59.04 -41.86 88.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.527 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -70.98 -32.56 69.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.558 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 4.4 t -48.61 -44.34 36.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.554 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.821 ' O ' ' CB ' ' A' ' 123' ' ' LYS . 57.8 mmtt -59.71 -43.67 94.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.538 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 56.4 mt -68.18 -31.28 70.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.535 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.405 ' O ' ' CD1' ' A' ' 133' ' ' ILE . 61.2 t -77.02 -53.56 14.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.572 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 69.4 mt -72.83 -40.98 65.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.596 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.821 ' CB ' ' O ' ' A' ' 119' ' ' LYS . 65.5 tttm -58.16 -41.04 82.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.535 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.524 ' O ' ' OG1' ' A' ' 127' ' ' THR . . . -75.68 -21.89 57.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.534 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 40.3 tp -63.0 -32.29 73.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.598 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' CYS . . . . . 0.523 ' SG ' ' O ' ' A' ' 123' ' ' LYS . 17.6 p -83.21 -35.72 25.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.587 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' THR . . . . . 0.771 ' O ' ' HB2' ' A' ' 128' ' ' LYS . 35.2 p -53.63 -19.11 3.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.559 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . 0.771 ' HB2' ' O ' ' A' ' 127' ' ' THR . 60.7 mttp 87.61 44.92 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.62 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . 0.498 ' CG2' ' OG1' ' A' ' 127' ' ' THR . 0.2 OUTLIER -147.92 88.79 5.45 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.614 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -70.68 -14.22 33.01 Favored 'Trans proline' 0 C--N 1.305 -1.747 0 C-N-CA 122.737 2.291 . . . . 0.0 112.07 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -64.63 -41.16 96.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.517 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 8.5 mp -60.99 -34.24 74.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.517 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . 0.423 HD12 HG23 ' A' ' 133' ' ' ILE . 21.0 mm -56.74 -50.08 75.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.471 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 17.4 mmm180 -69.22 -34.85 75.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.423 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 7.4 m -67.07 -31.92 72.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.497 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 44.8 mt -69.81 -58.89 4.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.492 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 86.3 mtp -46.46 -25.49 0.68 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.539 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -68.57 -40.56 86.02 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 139' ' ' TRP . . . . . 0.517 ' CD1' ' N ' ' A' ' 139' ' ' TRP . 12.2 m0 -66.34 -24.43 66.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.841 0.353 . . . . 0.0 110.501 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 140' ' ' THR . . . . . 0.504 ' OG1' ' N ' ' A' ' 141' ' ' LEU . 15.4 p -75.49 -65.86 0.84 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.521 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . 1.273 ' H ' ' N ' ' A' ' 141' ' ' LEU . 54.2 mt -51.72 -33.65 35.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.514 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -65.75 -51.01 62.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.613 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . 0.53 ' O ' ' HB2' ' A' ' 147' ' ' ARG . 39.8 t80 -66.85 -38.88 87.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.552 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 2.4 tp -71.1 -35.44 71.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.523 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 58.9 ttp180 -83.08 -10.63 58.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.563 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -112.05 -4.57 14.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.604 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . 1.152 ' O ' ' N ' ' A' ' 149' ' ' LEU . 0.6 OUTLIER -142.28 -110.91 0.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.527 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . 0.697 ' O ' ' N ' ' A' ' 152' ' ' ILE . 1.0 OUTLIER -15.31 -27.8 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.575 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . 1.152 ' N ' ' O ' ' A' ' 147' ' ' ARG . 59.2 tp -49.15 -56.2 9.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.638 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -63.97 -50.62 59.56 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 151' ' ' TRP . . . . . . . . . . . . . 99.6 m95 -66.25 -55.78 14.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.786 0.327 . . . . 0.0 110.613 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 152' ' ' ILE . . . . . 0.697 ' N ' ' O ' ' A' ' 148' ' ' LEU . 10.5 tt -51.35 -34.39 15.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.532 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . 0.493 ' NE2' ' CD1' ' A' ' 149' ' ' LEU . 50.4 mt-30 -67.39 -31.27 71.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.596 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -89.08 -4.47 58.33 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.592 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -97.55 0.82 48.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.609 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 83.73 24.63 49.07 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 89.85 -160.32 28.61 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.949 -0.861 . . . . 0.0 110.949 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . 53.6 m95 -73.94 -5.71 42.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.781 0.324 . . . . 0.0 110.556 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 67.5 t0 -60.88 -42.37 97.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.615 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -54.5 -32.15 52.58 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 2.0 tt -62.89 -54.14 43.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.818 0.342 . . . . 0.0 110.538 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 53.0 tp -67.0 -31.02 71.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.607 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 5.3 t -66.83 -26.28 66.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.483 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 164' ' ' TYR . . . . . 0.422 ' C ' ' H ' ' A' ' 166' ' ' GLY . 93.6 t80 -76.66 -42.56 41.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.567 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -71.67 47.87 0.14 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.611 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 166' ' ' GLY . . . . . 0.422 ' H ' ' C ' ' A' ' 164' ' ' TYR . . . -130.88 39.08 1.84 Allowed Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 167' ' ' THR . . . . . 1.047 ' OG1' ' HD2' ' A' ' 168' ' ' PRO . 0.6 OUTLIER -108.48 -179.81 0.74 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 120.909 0.385 . . . . 0.0 110.558 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 168' ' ' PRO . . . . . 1.047 ' HD2' ' OG1' ' A' ' 167' ' ' THR . 52.8 Cg_endo -73.48 -145.83 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.739 0 C-N-CA 122.837 2.358 . . . . 0.0 112.133 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 169' ' ' THR . . . . . 0.59 ' C ' ' O ' ' A' ' 168' ' ' PRO . 7.3 p -22.88 101.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.61 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 170' ' ' TRP . . . . . 0.62 ' O ' HG23 ' A' ' 173' ' ' VAL . 36.2 p90 -64.65 -18.54 65.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.557 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 171' ' ' GLN . . . . . 0.524 ' NE2' ' OG1' ' A' ' 172' ' ' THR . 5.4 pp0? -47.16 -14.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.604 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 172' ' ' THR . . . . . 0.524 ' OG1' ' NE2' ' A' ' 171' ' ' GLN . 5.2 m -86.78 -29.67 22.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.611 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 173' ' ' VAL . . . . . 0.62 HG23 ' O ' ' A' ' 170' ' ' TRP . 2.0 m -72.02 -45.6 62.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.577 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 174' ' ' THR . . . . . 0.562 ' N ' ' CG2' ' A' ' 173' ' ' VAL . 25.5 m -64.67 -24.86 67.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.544 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 175' ' ' ILE . . . . . 0.43 HG23 ' O ' ' A' ' 172' ' ' THR . 1.7 tt -85.79 -7.47 10.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.552 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 176' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -94.63 -59.99 1.81 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.624 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 3.2 m -62.21 -16.61 16.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.612 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 178' ' ' ALA . . . . . 0.64 ' O ' ' OG1' ' A' ' 182' ' ' THR . . . -95.54 -45.96 6.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.583 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -62.33 -26.11 67.53 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 180' ' ' VAL . . . . . 0.519 ' CG1' ' N ' ' A' ' 181' ' ' LEU . 13.8 p -86.3 -51.7 12.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.764 0.316 . . . . 0.0 110.515 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 181' ' ' LEU . . . . . 0.519 ' N ' ' CG1' ' A' ' 180' ' ' VAL . 43.9 tp -69.4 -47.88 62.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.592 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 182' ' ' THR . . . . . 0.64 ' OG1' ' O ' ' A' ' 178' ' ' ALA . 25.2 m -50.54 -51.38 48.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.581 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -47.35 -45.7 25.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.574 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 184' ' ' SER . . . . . . . . . . . . . 27.2 t -54.44 -37.89 65.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.587 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 61.1 mt -77.52 -21.81 52.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.609 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 20.8 m -73.24 -44.81 58.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.612 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 187' ' ' ILE . . . . . 0.507 ' O ' ' C ' ' A' ' 188' ' ' TRP . 12.2 tt -73.7 -51.54 24.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.604 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 188' ' ' TRP . . . . . 0.507 ' C ' ' O ' ' A' ' 187' ' ' ILE . 0.2 OUTLIER -30.87 -56.91 0.22 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.54 -179.952 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 7.9 mmtt -175.7 128.27 0.25 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.567 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 190' ' ' LYS . . . . . . . . . . . . . 34.9 pttt -109.81 89.47 3.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.625 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 191' ' ' MET . . . . . . . . . . . . . 83.5 mtp -128.54 136.59 50.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.578 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.726 0 CA-C-O 117.988 -1.451 . . . . 0.0 110.922 -179.985 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 1.053 ' O ' HD11 ' A' ' 19' ' ' ILE . 11.2 p . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.757 0.313 . . . . 0.0 110.601 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.44 ' H ' ' HB2' ' A' ' 15' ' ' SER . 20.6 m -95.87 -9.03 32.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.629 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -86.39 -49.78 7.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.642 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 98.3 mm-40 -66.16 -23.62 66.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.569 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 1.053 HD11 ' O ' ' A' ' 15' ' ' SER . 70.4 mt -81.76 -55.02 8.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.521 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 52.4 ttp -53.67 -36.33 62.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.46 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -67.54 -45.92 74.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.481 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 40.3 p -72.49 -7.77 51.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.591 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -79.9 -53.98 4.05 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.21 -9.33 59.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.837 0.351 . . . . 0.0 110.512 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.547 ' O ' ' C ' ' A' ' 26' ' ' LEU . 2.1 mm? -86.72 -80.68 0.24 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.529 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.547 ' C ' ' O ' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -26.99 -65.53 0.07 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.624 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.415 ' C ' ' N ' ' A' ' 29' ' ' GLY . 10.8 mp -51.39 -57.75 8.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.558 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.521 ' NE2' ' C ' ' A' ' 28' ' ' GLN . 0.0 OUTLIER -47.58 -18.04 0.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.582 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.539 ' O ' ' N ' ' A' ' 31' ' ' ILE . . . -88.64 -72.67 1.28 Allowed Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 44.8 t80 -42.23 -18.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.804 0.335 . . . . 0.0 110.598 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.539 ' N ' ' O ' ' A' ' 29' ' ' GLY . 73.1 mt -77.02 -69.1 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.568 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.86 29.77 0.2 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.636 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.452 ' H ' ' C ' ' A' ' 31' ' ' ILE . 68.3 t0 -112.7 -51.32 2.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.52 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 -90.95 -27.29 18.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.524 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -98.81 -12.8 20.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.606 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.677 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 -179.985 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo . . . . . 0 N--CA 1.49 1.32 0 CA-C-O 120.806 0.252 . . . . 0.0 112.126 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 70.9 mt-10 -93.25 -9.81 37.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.564 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.432 ' O ' HD11 ' A' ' 45' ' ' LEU . 0.2 OUTLIER -103.53 66.1 0.86 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.53 -179.934 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -74.05 138.39 44.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.594 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 28.0 tp . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.536 -179.979 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.782 0.325 . . . . 0.0 110.523 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -85.23 -3.14 58.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.567 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 72.6 p -56.65 -40.24 75.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.597 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 72.8 p -80.27 -33.75 37.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.578 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -51.06 -54.4 25.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.566 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 30.7 ttpt -60.42 -47.48 85.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.454 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.11 -26.44 68.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.568 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.6 t -71.38 -35.41 71.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.491 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -63.7 -31.83 73.12 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.589 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 97.6 m -64.19 -37.88 89.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.547 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.401 ' N ' ' CD1' ' A' ' 63' ' ' LEU . 9.9 mp -75.29 -24.77 57.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.534 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -84.2 -36.69 22.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.595 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.436 ' O ' ' OE2' ' A' ' 69' ' ' GLU . 99.5 mtt180 -68.46 -44.51 74.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.571 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 20.7 tt -76.47 -35.09 25.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.507 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.425 ' O ' ' CB ' ' A' ' 71' ' ' ASP . . . -60.97 -45.48 96.5 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 48.1 t0 -62.7 -34.28 76.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.793 0.33 . . . . 0.0 110.621 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.539 ' OE1' ' N ' ' A' ' 69' ' ' GLU . 0.3 OUTLIER -79.69 -58.41 3.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.598 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.19 -43.05 74.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.579 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.425 ' CB ' ' O ' ' A' ' 67' ' ' GLY . 38.5 t70 -65.05 -8.8 17.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.558 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.3 t -96.35 7.02 47.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.557 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -92.97 111.5 23.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.547 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 96.0 mmm -68.31 -11.12 58.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.59 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -80.52 -67.16 0.8 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.569 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 7.3 tp -59.9 -40.26 88.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.544 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.597 HE22 ' NZ ' ' A' ' 119' ' ' LYS . 68.0 tp60 -61.74 -37.97 86.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.55 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 -68.56 -44.94 73.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.552 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 73.4 mtp -54.42 -43.99 72.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.545 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.513 ' O ' HG12 ' A' ' 83' ' ' VAL . 83.1 mt -62.33 -23.71 32.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.613 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -85.99 -18.77 31.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.562 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -86.49 -15.3 40.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.552 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.614 ' O ' ' CG1' ' A' ' 83' ' ' VAL . 8.0 p -89.57 82.64 2.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.586 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.426 ' O ' ' O ' ' A' ' 83' ' ' VAL . 56.1 p-10 -40.49 162.3 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.575 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 63.7 p -119.53 119.45 33.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.593 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -148.34 -0.17 0.58 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.467 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.427 ' O ' HG11 ' A' ' 91' ' ' VAL . 46.8 t -175.9 88.91 0.28 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.516 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.488 ' O ' ' CB ' ' A' ' 92' ' ' PHE . 37.9 Cg_endo -69.61 -14.93 37.3 Favored 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.791 2.327 . . . . 0.0 112.08 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 17.4 ptt-85 -86.81 -33.61 19.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.486 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -79.98 -57.22 3.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.495 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.471 ' CG1' ' N ' ' A' ' 92' ' ' PHE . 9.6 p -57.94 -50.87 76.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.5 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.488 ' CB ' ' O ' ' A' ' 88' ' ' PRO . 85.5 t80 -46.34 -51.93 13.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.578 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -68.14 -30.35 69.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.515 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 15.9 tpp180 -71.62 -57.85 4.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.542 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.443 ' CG2' ' N ' ' A' ' 96' ' ' ALA . 27.8 m -59.48 -48.0 88.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.471 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.443 ' N ' ' CG2' ' A' ' 95' ' ' VAL . . . -55.22 -27.63 47.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.552 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -81.88 -38.9 24.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.494 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 99' ' ' MET . 92.5 m-20 -63.27 -38.56 91.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.514 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' MET . . . . . 0.506 ' HB2' HH21 ' A' ' 109' ' ' ARG . 64.0 mtt -38.45 -68.81 0.14 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.532 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.6 ' CD2' ' O ' ' A' ' 100' ' ' PHE . 17.2 p90 -111.31 57.44 0.63 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.544 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.2 t -74.62 -26.9 60.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.537 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . 0.533 ' O ' ' C ' ' A' ' 103' ' ' GLY . 55.9 p-10 -155.53 -18.36 0.11 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.504 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.533 ' C ' ' O ' ' A' ' 102' ' ' ASP . . . -26.38 -80.72 0.01 OUTLIER Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . 0.607 ' O ' ' CG ' ' A' ' 105' ' ' PHE . 10.3 m-20 174.57 34.33 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.766 0.317 . . . . 0.0 110.614 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.607 ' CG ' ' O ' ' A' ' 104' ' ' ASN . 30.6 p90 42.7 29.04 0.14 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.574 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . 0.539 ' CG ' ' H ' ' A' ' 107' ' ' TRP . 27.9 p30 -52.13 -110.46 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.598 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' TRP . . . . . 0.539 ' H ' ' CG ' ' A' ' 106' ' ' ASN . 6.6 t90 174.7 -26.21 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.599 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . 0.44 ' O ' HG13 ' A' ' 111' ' ' VAL . . . -50.07 -42.07 39.07 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . 0.506 HH21 ' HB2' ' A' ' 99' ' ' MET . 0.0 OUTLIER -48.14 -26.18 1.78 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.869 0.366 . . . . 0.0 110.584 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.476 ' N ' ' HD3' ' A' ' 109' ' ' ARG . 33.8 t -52.5 -57.9 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.57 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.553 ' CG1' ' N ' ' A' ' 112' ' ' ALA . 4.8 p -45.22 -46.81 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.521 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.553 ' N ' ' CG1' ' A' ' 111' ' ' VAL . . . -57.94 -35.35 70.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.551 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 1.8 tt -56.69 -46.89 80.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.525 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . 0.445 ' CZ ' ' CG1' ' A' ' 110' ' ' VAL . 9.9 m-85 -56.97 -44.19 82.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.559 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 93.4 t80 -68.04 -43.7 78.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.522 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 93.3 t80 -58.94 -41.9 88.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.538 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -70.93 -32.51 69.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.575 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 5.1 t -48.67 -44.42 37.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.507 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.819 ' O ' ' CB ' ' A' ' 123' ' ' LYS . 58.0 mmtt -59.65 -43.63 93.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.558 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 53.3 mt -68.13 -31.31 70.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.551 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.414 ' O ' ' CD1' ' A' ' 133' ' ' ILE . 59.3 t -77.09 -53.45 14.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.564 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 69.0 mt -73.08 -40.5 64.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.674 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.819 ' CB ' ' O ' ' A' ' 119' ' ' LYS . 88.7 tttt -58.35 -40.86 83.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.609 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.509 ' O ' ' OG1' ' A' ' 127' ' ' THR . . . -76.29 -20.98 56.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.561 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 5.0 tt -64.01 -31.0 72.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.598 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 1.7 t -85.01 -34.44 22.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.527 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' THR . . . . . 0.792 ' O ' ' HB2' ' A' ' 128' ' ' LYS . 32.9 p -54.25 -18.76 4.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.525 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . 0.792 ' HB2' ' O ' ' A' ' 127' ' ' THR . 27.5 mmtp 88.13 43.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.58 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . 0.49 ' CG2' ' OG1' ' A' ' 127' ' ' THR . 0.3 OUTLIER -147.48 90.7 5.18 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.578 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -72.79 -13.15 26.78 Favored 'Trans proline' 0 C--N 1.304 -1.767 0 C-N-CA 122.807 2.338 . . . . 0.0 112.009 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -65.69 -40.78 92.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.485 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 8.5 mp -61.12 -33.76 73.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.559 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . 0.414 ' CD1' ' O ' ' A' ' 121' ' ' VAL . 21.7 mm -57.07 -49.91 78.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.504 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 90.0 mtm180 -69.2 -34.72 75.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.529 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 7.3 m -67.51 -31.84 72.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.491 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 45.4 mt -69.8 -58.71 4.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.576 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 137' ' ' MET . . . . . 0.43 ' O ' ' OG1' ' A' ' 140' ' ' THR . 85.8 mtp -46.51 -25.52 0.7 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.559 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -68.71 -40.45 85.48 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 139' ' ' TRP . . . . . 0.509 ' CD1' ' N ' ' A' ' 139' ' ' TRP . 12.6 m0 -66.33 -24.42 66.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.806 0.336 . . . . 0.0 110.531 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 140' ' ' THR . . . . . 0.469 ' OG1' ' N ' ' A' ' 141' ' ' LEU . 22.8 p -75.51 -65.94 0.83 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.524 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . 0.469 ' N ' ' OG1' ' A' ' 140' ' ' THR . 50.8 mt -51.76 -33.55 35.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.576 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -65.79 -51.03 62.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.559 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . 0.435 ' O ' ' HB2' ' A' ' 147' ' ' ARG . 5.7 t80 -66.86 -38.91 87.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.517 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 1.8 tp -71.09 -35.49 71.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.558 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 58.2 ttp180 -83.05 -10.59 58.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.554 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -112.0 -4.75 14.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.603 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . 1.152 ' O ' ' N ' ' A' ' 149' ' ' LEU . 12.2 mtp180 -142.11 -110.84 0.13 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.546 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . 0.697 ' O ' ' N ' ' A' ' 152' ' ' ILE . 1.0 OUTLIER -15.39 -27.76 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.567 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . 1.152 ' N ' ' O ' ' A' ' 147' ' ' ARG . 43.7 tp -49.06 -56.37 9.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.583 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -63.91 -50.59 59.95 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 151' ' ' TRP . . . . . . . . . . . . . 99.3 m95 -66.25 -55.91 13.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.83 0.348 . . . . 0.0 110.541 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 152' ' ' ILE . . . . . 0.697 ' N ' ' O ' ' A' ' 148' ' ' LEU . 10.5 tt -51.28 -34.34 14.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.553 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . 0.403 ' N ' HG22 ' A' ' 152' ' ' ILE . 46.5 tt0 -67.49 -31.16 71.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.597 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -89.09 -4.67 58.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.62 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -97.38 0.76 48.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.584 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 83.75 24.64 48.93 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 89.77 -160.4 28.77 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 158' ' ' TRP . . . . . 0.416 ' HE1' HG23 ' A' ' 19' ' ' ILE . 32.4 m95 -73.86 -5.68 42.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.851 0.358 . . . . 0.0 110.57 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -60.89 -42.43 97.99 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.586 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -54.39 -32.26 51.94 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 2.1 tt -62.86 -54.05 44.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.878 0.37 . . . . 0.0 110.597 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 58.6 tp -66.99 -31.23 71.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.545 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 5.3 t -66.65 -26.51 67.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.54 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 164' ' ' TYR . . . . . 0.422 ' C ' ' H ' ' A' ' 166' ' ' GLY . 93.5 t80 -76.25 -42.82 44.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.55 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -71.66 47.95 0.14 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.542 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 166' ' ' GLY . . . . . 0.422 ' H ' ' C ' ' A' ' 164' ' ' TYR . . . -130.69 38.79 1.89 Allowed Glycine 0 CA--C 1.526 0.74 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 167' ' ' THR . . . . . 1.094 ' OG1' ' HD2' ' A' ' 168' ' ' PRO . 0.6 OUTLIER -108.28 -178.84 0.61 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 120.846 0.355 . . . . 0.0 110.609 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 168' ' ' PRO . . . . . 1.094 ' HD2' ' OG1' ' A' ' 167' ' ' THR . 56.9 Cg_endo -74.83 -146.77 0.03 OUTLIER 'Trans proline' 0 C--N 1.304 -1.782 0 C-N-CA 122.875 2.384 . . . . 0.0 112.227 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 169' ' ' THR . . . . . 0.601 ' C ' ' O ' ' A' ' 168' ' ' PRO . 29.3 p -21.64 100.31 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.546 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 170' ' ' TRP . . . . . 0.617 ' O ' HG23 ' A' ' 173' ' ' VAL . 34.0 p90 -64.14 -18.58 64.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.566 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 171' ' ' GLN . . . . . 0.51 ' NE2' ' OG1' ' A' ' 172' ' ' THR . 5.3 pp0? -47.35 -13.97 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.571 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 172' ' ' THR . . . . . 0.51 ' OG1' ' NE2' ' A' ' 171' ' ' GLN . 5.0 m -87.14 -29.56 21.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.507 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 173' ' ' VAL . . . . . 0.617 HG23 ' O ' ' A' ' 170' ' ' TRP . 2.0 m -71.96 -45.73 62.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.593 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 174' ' ' THR . . . . . 0.566 ' N ' ' CG2' ' A' ' 173' ' ' VAL . 24.9 m -64.51 -24.94 67.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.55 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 175' ' ' ILE . . . . . 0.424 HG23 ' O ' ' A' ' 172' ' ' THR . 1.7 tt -85.81 -7.5 10.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.585 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 176' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -94.67 -60.07 1.79 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.548 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 3.2 m -62.09 -16.66 16.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.59 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 178' ' ' ALA . . . . . 0.633 ' O ' ' OG1' ' A' ' 182' ' ' THR . . . -95.57 -45.87 6.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.516 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -62.4 -26.15 67.71 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 180' ' ' VAL . . . . . 0.519 ' CG1' ' N ' ' A' ' 181' ' ' LEU . 13.7 p -86.25 -51.71 12.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.796 0.331 . . . . 0.0 110.574 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 181' ' ' LEU . . . . . 0.519 ' N ' ' CG1' ' A' ' 180' ' ' VAL . 41.1 tp -69.21 -48.08 63.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.595 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 182' ' ' THR . . . . . 0.633 ' OG1' ' O ' ' A' ' 178' ' ' ALA . 25.8 m -50.5 -51.32 48.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.588 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -47.4 -45.66 25.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.587 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 184' ' ' SER . . . . . . . . . . . . . 27.7 t -54.57 -37.87 65.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.526 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 61.5 mt -77.64 -21.65 51.91 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.586 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 21.0 m -73.28 -44.86 58.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.548 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 187' ' ' ILE . . . . . 0.504 ' O ' ' C ' ' A' ' 188' ' ' TRP . 12.4 tt -73.71 -51.52 24.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.636 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 188' ' ' TRP . . . . . 0.504 ' C ' ' O ' ' A' ' 187' ' ' ILE . 0.1 OUTLIER -30.81 -56.82 0.22 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.642 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 8.0 mmtt -175.83 128.18 0.24 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.589 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 190' ' ' LYS . . . . . . . . . . . . . 13.1 ptpt -109.77 89.53 3.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.597 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 191' ' ' MET . . . . . . . . . . . . . 83.1 mtp -128.6 136.54 50.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.527 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.779 0 CA-C-O 117.983 -1.454 . . . . 0.0 110.985 179.943 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 1.482 ' N ' ' H ' ' A' ' 15' ' ' SER . 1.7 p . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.773 0.32 . . . . 0.0 110.697 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 29.4 m -95.18 -18.59 20.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.541 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -92.78 -49.08 6.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.59 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -56.58 -33.65 66.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.64 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 1.122 HD11 ' O ' ' A' ' 15' ' ' SER . 64.8 mt -73.95 -50.35 29.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.602 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 48.4 ttp -58.06 -36.21 72.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.655 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.403 ' O ' ' HB2' ' A' ' 25' ' ' LEU . 96.6 mttt -68.17 -43.67 77.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.667 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 66.8 m -72.82 -14.26 61.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.611 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -74.2 -54.23 6.4 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.685 ' O ' ' CG ' ' A' ' 28' ' ' GLN . . . -77.17 -10.83 59.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.747 0.308 . . . . 0.0 110.571 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.533 ' O ' ' C ' ' A' ' 26' ' ' LEU . 1.9 mm? -86.22 -78.63 0.27 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.572 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.533 ' C ' ' O ' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -28.96 -64.59 0.1 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.534 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.417 ' O ' HG13 ' A' ' 31' ' ' ILE . 57.0 mt -52.33 -56.89 11.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.586 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.685 ' CG ' ' O ' ' A' ' 24' ' ' ALA . 64.2 mm-40 -48.43 -18.12 0.21 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.602 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.532 ' O ' ' N ' ' A' ' 31' ' ' ILE . . . -88.47 -72.47 1.28 Allowed Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 43.4 t80 -42.39 -18.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.805 0.336 . . . . 0.0 110.574 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.532 ' N ' ' O ' ' A' ' 29' ' ' GLY . 90.2 mt -76.97 -69.03 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.564 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.542 ' CG ' ' O ' ' A' ' 32' ' ' GLN . 4.9 tt0 -78.99 29.86 0.21 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.519 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.45 ' H ' ' C ' ' A' ' 31' ' ' ILE . 65.9 t0 -112.85 -51.05 2.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.561 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.4 ' NH2' ' OD2' ' A' ' 71' ' ' ASP . 15.9 ptm180 -91.23 -26.97 18.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.602 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -99.25 -12.77 20.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.56 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.664 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.963 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_exo . . . . . 0 N--CA 1.493 1.467 0 CA-C-O 120.837 0.265 . . . . 0.0 112.06 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.427 ' OE1' ' N ' ' A' ' 44' ' ' GLU . 57.2 mp0 -90.11 -12.99 36.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.579 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.471 ' CD2' ' O ' ' A' ' 28' ' ' GLN . 32.0 tp -100.88 68.94 1.31 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.554 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.486 ' O ' ' CD1' ' A' ' 47' ' ' LEU . . . -77.57 140.56 39.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.608 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.486 ' CD1' ' O ' ' A' ' 46' ' ' ALA . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.571 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.829 0.347 . . . . 0.0 110.518 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -84.07 -2.84 57.46 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.618 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 10.4 t -56.74 -39.42 73.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.548 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 79.4 p -81.04 -33.84 33.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.603 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 30.0 ttpt -50.63 -54.71 20.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.538 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 30.3 ttpt -60.04 -47.56 85.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.661 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.5 mt -62.1 -26.44 68.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.541 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.7 t -71.16 -35.49 71.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.571 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 76.6 mt-10 -63.65 -31.91 73.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.539 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 94.5 m -64.24 -37.83 88.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.591 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 10.9 mp -75.23 -24.65 57.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.598 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -84.29 -36.65 22.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.503 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.441 ' O ' ' OE2' ' A' ' 69' ' ' GLU . 99.7 mtt180 -68.59 -44.42 74.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.575 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 19.0 tt -76.5 -35.04 25.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.599 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.426 ' O ' ' CB ' ' A' ' 71' ' ' ASP . . . -61.01 -45.42 96.65 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 44.0 t0 -62.7 -34.35 76.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.85 0.357 . . . . 0.0 110.61 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.526 ' OE1' ' N ' ' A' ' 69' ' ' GLU . 0.3 OUTLIER -79.53 -58.57 3.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.563 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 2.2 mt -55.18 -43.06 74.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.55 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.426 ' CB ' ' O ' ' A' ' 67' ' ' GLY . 52.8 t0 -65.09 -8.72 17.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.602 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.5 t -96.33 7.0 47.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.62 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -92.95 111.51 23.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.535 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 51.8 ttp -68.34 -11.13 59.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.552 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -80.39 -67.33 0.78 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.571 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 56.0 tp -59.79 -40.2 87.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.642 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 45.0 tt0 -61.83 -37.93 86.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.592 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 75.8 ttt180 -68.5 -44.86 73.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.65 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 54.8 mtt -54.56 -43.84 72.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.624 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.52 ' O ' HG12 ' A' ' 83' ' ' VAL . 82.5 mt -62.4 -23.8 33.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.573 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -85.89 -18.73 31.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.584 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -86.56 -15.19 40.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.6 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.617 ' O ' ' CG1' ' A' ' 83' ' ' VAL . 7.7 p -89.65 82.82 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.563 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 50.3 p-10 -41.54 161.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.546 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 79.4 m -118.72 121.95 41.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.598 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -150.7 0.27 0.41 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.46 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.403 ' O ' HG11 ' A' ' 91' ' ' VAL . 43.5 t -175.77 85.03 0.29 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.51 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.515 ' O ' ' CB ' ' A' ' 92' ' ' PHE . 28.6 Cg_endo -65.68 -17.13 56.02 Favored 'Trans proline' 0 C--N 1.305 -1.753 0 C-N-CA 122.781 2.321 . . . . 0.0 112.069 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 17.3 ptt-85 -84.63 -35.74 22.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.465 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -77.16 -58.61 3.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.52 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.482 ' CG1' ' N ' ' A' ' 92' ' ' PHE . 9.8 p -56.47 -51.94 58.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.553 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.515 ' CB ' ' O ' ' A' ' 88' ' ' PRO . 84.8 t80 -45.38 -52.95 9.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.479 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -67.19 -30.76 70.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.538 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 15.7 tpp180 -71.16 -58.27 3.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.482 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.445 ' CG2' ' N ' ' A' ' 96' ' ' ALA . 28.4 m -59.13 -48.23 87.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.553 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.445 ' N ' ' CG2' ' A' ' 95' ' ' VAL . . . -54.87 -27.75 45.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.542 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -81.82 -38.99 24.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.555 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 99' ' ' MET . 99.7 m-20 -63.02 -38.81 92.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.558 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' MET . . . . . 0.506 ' HB2' HH21 ' A' ' 109' ' ' ARG . 64.6 mtt -38.29 -68.92 0.14 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.548 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.608 ' CD2' ' O ' ' A' ' 100' ' ' PHE . 17.2 p90 -111.24 57.64 0.62 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.498 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.3 t -74.79 -26.77 59.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.571 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . 0.535 ' O ' ' C ' ' A' ' 103' ' ' GLY . 55.2 p-10 -155.63 -18.38 0.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.605 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.535 ' C ' ' O ' ' A' ' 102' ' ' ASP . . . -26.27 -80.75 0.01 OUTLIER Glycine 0 CA--C 1.524 0.594 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . 0.609 ' O ' ' CG ' ' A' ' 105' ' ' PHE . 9.1 m-20 174.57 34.31 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.725 0.298 . . . . 0.0 110.491 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.609 ' CG ' ' O ' ' A' ' 104' ' ' ASN . 31.0 p90 42.72 29.17 0.15 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.56 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . 0.538 ' CG ' ' H ' ' A' ' 107' ' ' TRP . 26.9 p30 -52.2 -110.33 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.604 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' TRP . . . . . 0.538 ' H ' ' CG ' ' A' ' 106' ' ' ASN . 6.3 t90 174.47 -26.11 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.617 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . 0.443 ' O ' HG13 ' A' ' 111' ' ' VAL . . . -50.2 -42.07 40.16 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . 0.506 HH21 ' HB2' ' A' ' 99' ' ' MET . 0.0 OUTLIER -48.18 -25.99 1.72 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.818 0.342 . . . . 0.0 110.575 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.481 ' N ' ' HD3' ' A' ' 109' ' ' ARG . 37.2 t -52.69 -57.83 3.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.57 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.555 ' CG1' ' N ' ' A' ' 112' ' ' ALA . 4.9 p -45.27 -46.82 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.527 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.555 ' N ' ' CG1' ' A' ' 111' ' ' VAL . . . -58.04 -35.05 70.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.602 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.0 tt -56.89 -46.73 81.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.539 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . 0.446 ' CZ ' ' CG1' ' A' ' 110' ' ' VAL . 10.0 m-85 -57.29 -43.93 83.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.544 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 92.0 t80 -68.23 -43.4 78.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.448 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 93.0 t80 -59.19 -41.87 89.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.552 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -71.08 -32.47 69.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.549 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 5.0 t -48.59 -44.16 36.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.516 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.817 ' O ' ' CB ' ' A' ' 123' ' ' LYS . 58.7 mmtt -60.13 -43.69 95.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.504 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 52.5 mt -68.03 -30.96 70.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.531 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.41 ' O ' ' CD1' ' A' ' 133' ' ' ILE . 58.5 t -77.39 -53.59 14.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.542 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 69.7 mt -72.74 -40.92 65.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.587 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.817 ' CB ' ' O ' ' A' ' 119' ' ' LYS . 88.8 tttt -58.08 -41.01 82.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.548 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.517 ' O ' ' OG1' ' A' ' 127' ' ' THR . . . -75.85 -21.57 57.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.488 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 43.1 tp -63.52 -31.84 73.12 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.593 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 5.7 t -83.65 -35.32 24.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.549 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' THR . . . . . 0.755 ' O ' ' HB2' ' A' ' 128' ' ' LYS . 35.5 p -54.07 -19.59 5.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.497 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . 0.755 ' HB2' ' O ' ' A' ' 127' ' ' THR . 77.9 mttt 87.57 46.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.56 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . 0.491 ' CG2' ' OG1' ' A' ' 127' ' ' THR . 0.2 OUTLIER -148.9 85.97 5.86 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.543 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -67.66 -15.84 45.41 Favored 'Trans proline' 0 C--N 1.305 -1.761 0 C-N-CA 122.762 2.308 . . . . 0.0 112.037 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 46.7 tt0 -62.96 -42.71 99.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.469 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 8.6 mp -59.51 -34.41 72.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.502 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . 0.41 ' CD1' ' O ' ' A' ' 121' ' ' VAL . 22.2 mm -56.65 -50.35 74.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.548 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . 0.402 ' O ' ' HG2' ' A' ' 137' ' ' MET . 2.1 mpt_? -69.04 -34.84 75.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.464 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 8.9 m -67.07 -31.96 72.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.517 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 44.7 mt -69.72 -58.99 4.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.558 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 137' ' ' MET . . . . . 0.416 ' O ' ' OG1' ' A' ' 140' ' ' THR . 5.2 ptm -46.3 -25.52 0.64 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.542 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -68.57 -40.51 86.07 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 139' ' ' TRP . . . . . 0.503 ' CD1' ' N ' ' A' ' 139' ' ' TRP . 13.4 m0 -66.44 -24.31 66.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.833 0.349 . . . . 0.0 110.578 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 140' ' ' THR . . . . . 0.478 ' OG1' ' N ' ' A' ' 141' ' ' LEU . 20.7 p -75.59 -65.75 0.86 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.513 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . 0.478 ' N ' ' OG1' ' A' ' 140' ' ' THR . 53.0 mt -51.89 -33.62 37.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.508 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -65.64 -51.14 61.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.568 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . 0.449 ' O ' ' HB2' ' A' ' 147' ' ' ARG . 5.4 t80 -66.8 -38.89 87.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.53 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 1.8 tp -71.02 -35.58 72.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.563 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 58.9 ttp180 -82.96 -10.76 58.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.559 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -111.97 -4.64 14.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.589 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . 1.153 ' O ' ' N ' ' A' ' 149' ' ' LEU . 11.0 mtp180 -142.18 -110.91 0.13 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.536 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . 0.697 ' O ' ' N ' ' A' ' 152' ' ' ILE . 1.0 OUTLIER -15.27 -27.81 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.598 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . 1.153 ' N ' ' O ' ' A' ' 147' ' ' ARG . 60.7 tp -49.14 -56.32 9.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.554 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -63.9 -50.63 59.67 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 151' ' ' TRP . . . . . . . . . . . . . 99.0 m95 -66.23 -55.84 14.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.825 0.345 . . . . 0.0 110.541 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 152' ' ' ILE . . . . . 0.697 ' N ' ' O ' ' A' ' 148' ' ' LEU . 10.8 tt -51.37 -34.3 15.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.572 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . 0.402 ' N ' HG22 ' A' ' 152' ' ' ILE . 12.3 mt-30 -67.38 -31.39 71.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.56 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -89.0 -4.43 58.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.521 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -97.61 0.79 47.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.555 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 83.65 24.57 49.61 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 89.91 -160.33 28.55 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 158' ' ' TRP . . . . . 0.455 ' HE1' HG23 ' A' ' 19' ' ' ILE . 34.1 m95 -74.01 -5.56 42.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.803 0.335 . . . . 0.0 110.587 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 65.1 t0 -61.03 -42.32 98.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.588 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -54.56 -32.04 52.94 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 2.0 tt -63.07 -53.92 46.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.872 0.368 . . . . 0.0 110.565 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 56.9 tp -67.26 -30.86 70.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.592 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 22.0 t -67.11 -25.73 66.35 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.586 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 164' ' ' TYR . . . . . 0.419 ' C ' ' H ' ' A' ' 166' ' ' GLY . 93.2 t80 -77.24 -42.39 37.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.574 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -71.6 48.27 0.14 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.584 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 166' ' ' GLY . . . . . 0.419 ' H ' ' C ' ' A' ' 164' ' ' TYR . . . -131.57 39.58 1.75 Allowed Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 167' ' ' THR . . . . . 0.957 ' OG1' ' HD2' ' A' ' 168' ' ' PRO . 0.6 OUTLIER -108.98 177.55 1.23 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 120.867 0.365 . . . . 0.0 110.577 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 168' ' ' PRO . . . . . 0.957 ' HD2' ' OG1' ' A' ' 167' ' ' THR . 38.1 Cg_endo -69.64 -145.15 0.02 OUTLIER 'Trans proline' 0 C--N 1.304 -1.774 0 C-N-CA 122.808 2.339 . . . . 0.0 112.064 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 169' ' ' THR . . . . . 0.578 ' C ' ' O ' ' A' ' 168' ' ' PRO . 20.6 p -24.73 103.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.551 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 170' ' ' TRP . . . . . 0.61 ' O ' HG23 ' A' ' 173' ' ' VAL . 31.1 p90 -66.08 -18.61 65.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.571 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 171' ' ' GLN . . . . . 0.53 ' NE2' ' OG1' ' A' ' 172' ' ' THR . 5.4 pp0? -47.0 -14.29 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.479 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 172' ' ' THR . . . . . 0.53 ' OG1' ' NE2' ' A' ' 171' ' ' GLN . 5.0 m -86.85 -29.48 22.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.58 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 173' ' ' VAL . . . . . 0.61 HG23 ' O ' ' A' ' 170' ' ' TRP . 2.0 m -72.17 -45.56 61.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.619 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 174' ' ' THR . . . . . 0.567 ' N ' ' CG2' ' A' ' 173' ' ' VAL . 24.9 m -64.63 -24.97 67.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.557 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 175' ' ' ILE . . . . . 0.424 HG23 ' O ' ' A' ' 172' ' ' THR . 1.7 tt -85.72 -7.41 10.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.613 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 176' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -94.71 -60.09 1.78 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.497 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 3.1 m -62.13 -16.62 16.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.595 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 178' ' ' ALA . . . . . 0.626 ' O ' ' OG1' ' A' ' 182' ' ' THR . . . -95.57 -45.92 6.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.575 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -62.31 -26.18 67.56 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 180' ' ' VAL . . . . . 0.518 ' CG1' ' N ' ' A' ' 181' ' ' LEU . 13.6 p -86.23 -51.78 12.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.837 0.351 . . . . 0.0 110.586 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 181' ' ' LEU . . . . . 0.518 ' N ' ' CG1' ' A' ' 180' ' ' VAL . 42.0 tp -69.23 -47.98 63.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.614 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 182' ' ' THR . . . . . 0.626 ' OG1' ' O ' ' A' ' 178' ' ' ALA . 26.5 m -50.54 -51.41 48.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.552 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -47.33 -45.61 24.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.622 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 184' ' ' SER . . . . . . . . . . . . . 27.8 t -54.53 -37.85 65.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.552 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 58.4 mt -77.7 -21.72 51.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.517 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 20.5 m -73.22 -44.79 59.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.635 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 187' ' ' ILE . . . . . 0.505 ' O ' ' C ' ' A' ' 188' ' ' TRP . 12.2 tt -73.72 -51.67 23.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.556 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 188' ' ' TRP . . . . . 0.505 ' C ' ' O ' ' A' ' 187' ' ' ILE . 0.2 OUTLIER -30.66 -56.98 0.21 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.59 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 8.1 mmtt -175.78 128.25 0.24 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.559 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 190' ' ' LYS . . . . . . . . . . . . . 36.4 pttt -109.91 89.53 3.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.561 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 191' ' ' MET . . . . . . . . . . . . . 82.8 mtp -128.56 136.57 50.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.518 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.819 0 CA-C-O 118.036 -1.424 . . . . 0.0 110.888 179.962 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.476 ' H2 ' ' H ' ' A' ' 2' ' ' ASP . 12.7 ptt? . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.66 ' OD1' ' N ' ' A' ' 3' ' ' GLY . 48.6 p-10 -65.21 -40.6 94.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.532 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.66 ' N ' ' OD1' ' A' ' 2' ' ' ASP . . . 81.06 -80.89 1.67 Allowed Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 18.0 m -152.53 -22.68 0.17 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.769 0.319 . . . . 0.0 110.584 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 162.41 -161.75 33.83 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 1.013 ' O ' ' HB3' ' A' ' 7' ' ' GLN . 7.7 tp10 -128.4 103.0 6.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.771 0.319 . . . . 0.0 110.575 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 1.013 ' HB3' ' O ' ' A' ' 6' ' ' GLU . 3.7 tp-100 97.04 66.98 0.01 OUTLIER Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.539 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.538 ' O ' ' O ' ' A' ' 7' ' ' GLN . 43.9 Cg_exo -51.87 -138.43 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.722 0 C-N-CA 122.788 2.325 . . . . 0.0 112.136 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 58.1 mtp180 -124.08 144.57 49.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.595 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.436 ' O ' ' C ' ' A' ' 11' ' ' GLY . . . -175.7 98.44 0.12 Allowed Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 10' ' ' GLY . . . -36.26 124.25 0.83 Allowed Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 104.51 71.15 0.83 Allowed Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.799 ' O ' ' N ' ' A' ' 15' ' ' SER . 50.3 Cg_exo -49.12 -65.46 0.16 Allowed 'Trans proline' 0 C--N 1.305 -1.751 0 CA-C-O 113.446 -2.814 . . . . 0.0 112.117 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.722 ' O ' ' O ' ' A' ' 15' ' ' SER . 1.7 p -46.74 43.16 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 O-C-N 128.932 3.895 . . . . 0.0 110.469 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 1.005 ' O ' HD11 ' A' ' 19' ' ' ILE . 94.2 p -47.65 -148.69 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.646 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.3 m -97.82 -17.22 19.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.591 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.446 ' HA ' ' OE1' ' A' ' 17' ' ' GLU . 47.1 mm-40 -63.73 -52.35 60.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.593 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.54 ' CD ' ' O ' ' A' ' 18' ' ' GLN . 3.4 tm0? -70.23 -20.45 63.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.565 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 1.005 HD11 ' O ' ' A' ' 15' ' ' SER . 87.2 mt -84.29 -56.08 6.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.541 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 46.4 ttp -52.19 -37.27 54.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.571 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 40.7 tptt -66.51 -46.89 74.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.517 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 47.7 m -71.86 -7.09 46.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.517 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -80.18 -54.1 3.93 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.71 -8.71 58.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.809 0.338 . . . . 0.0 110.517 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.552 ' O ' ' C ' ' A' ' 26' ' ' LEU . 2.1 mm? -86.99 -81.03 0.23 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.566 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.552 ' C ' ' O ' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -26.57 -65.88 0.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.587 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.421 ' C ' ' N ' ' A' ' 29' ' ' GLY . 4.6 tp -51.15 -57.96 7.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.559 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 7.4 tp-100 -47.28 -18.04 0.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.54 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.542 ' O ' ' N ' ' A' ' 31' ' ' ILE . . . -88.68 -72.77 1.28 Allowed Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.961 -0.855 . . . . 0.0 110.961 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 42.0 t80 -42.15 -18.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.77 0.319 . . . . 0.0 110.544 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.542 ' N ' ' O ' ' A' ' 29' ' ' GLY . 84.7 mt -76.97 -69.26 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.605 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.582 ' NE2' ' HB2' ' A' ' 43' ' ' PRO . 33.5 tt0 -78.85 30.16 0.2 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.564 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.45 ' H ' ' C ' ' A' ' 31' ' ' ILE . 67.0 t0 -113.17 -50.92 2.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.536 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 -91.38 -26.92 18.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.534 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -99.31 -12.66 20.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.575 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -60.53 90.82 0.05 OUTLIER Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.407 ' NH2' ' HA2' ' A' ' 40' ' ' GLY . 72.8 ttp85 -67.32 148.72 51.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.791 0.329 . . . . 0.0 110.551 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 66.9 mtt -87.16 136.18 33.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.559 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 83.73 9.66 82.6 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.407 ' HA2' ' NH2' ' A' ' 37' ' ' ARG . . . -94.19 86.1 1.06 Allowed Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.0 tp10 -65.65 146.3 54.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.823 0.344 . . . . 0.0 110.535 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 69.96 72.0 0.32 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.589 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.582 ' HB2' ' NE2' ' A' ' 32' ' ' GLN . 35.1 Cg_endo -67.91 139.66 48.06 Favored 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 122.765 2.31 . . . . 0.0 112.048 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -75.67 -15.13 60.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.65 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.575 ' CD2' ' N ' ' A' ' 45' ' ' LEU . 0.5 OUTLIER -93.6 64.28 3.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.609 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -83.49 131.79 34.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.579 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 175.74 -72.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.583 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.487 ' OD1' ' C ' ' A' ' 48' ' ' ASP . 0.3 OUTLIER -120.71 126.32 26.75 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.562 -179.928 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -53.9 -55.16 3.73 Favored 'Trans proline' 0 C--N 1.306 -1.696 0 C-N-CA 122.797 2.332 . . . . 0.0 111.989 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.991 ' CG2' ' HD2' ' A' ' 51' ' ' PRO . 10.8 p -162.91 151.14 11.8 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.478 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.991 ' HD2' ' CG2' ' A' ' 50' ' ' VAL . 36.8 Cg_endo -68.78 127.41 15.33 Favored 'Trans proline' 0 C--N 1.305 -1.746 0 C-N-CA 122.802 2.335 . . . . 0.0 112.08 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 82.5 mt-30 -74.88 -72.25 0.3 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.598 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.453 ' OD1' ' O ' ' A' ' 53' ' ' ASP . 50.7 p-10 -63.51 148.31 49.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.609 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -83.84 -2.31 56.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.576 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 13.9 t -58.07 -39.78 79.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.546 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 77.0 p -81.83 -33.83 30.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.572 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 31.5 tptt -50.43 -54.76 19.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.566 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 30.6 ttpt -59.9 -47.74 84.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.576 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.98 -26.33 68.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.541 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.5 t -71.37 -35.35 71.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.579 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -63.81 -31.74 73.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.582 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 93.3 m -64.28 -37.8 88.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.556 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 10.0 mp -75.36 -24.65 57.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.525 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.463 ' HZ2' ' CB ' ' A' ' 64' ' ' LYS . 7.9 ttpm? -84.28 -36.63 22.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.58 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.441 ' O ' ' OE2' ' A' ' 69' ' ' GLU . 99.7 mtt180 -68.53 -44.43 74.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.573 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 19.1 tt -76.52 -35.02 25.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.571 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.426 ' O ' ' CB ' ' A' ' 71' ' ' ASP . . . -61.08 -45.36 96.73 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 57.5 t0 -62.76 -34.32 76.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.806 0.336 . . . . 0.0 110.56 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.536 ' OE1' ' N ' ' A' ' 69' ' ' GLU . 0.3 OUTLIER -79.64 -58.54 3.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.54 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.447 ' O ' ' OE1' ' A' ' 77' ' ' GLN . 2.3 mt -55.07 -43.13 73.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.596 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.426 ' CB ' ' O ' ' A' ' 67' ' ' GLY . 54.3 t0 -65.03 -8.79 17.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.539 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.2 t -96.4 7.09 47.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.578 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.448 ' O ' ' OE1' ' A' ' 77' ' ' GLN . 7.7 m120 -93.0 111.46 23.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.578 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 95.8 mmm -68.27 -11.23 59.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.571 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -80.4 -67.19 0.79 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.581 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 54.8 tp -59.88 -40.26 88.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.576 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.448 ' OE1' ' O ' ' A' ' 73' ' ' ASN . 1.2 mp0 -61.75 -37.92 86.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.604 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 75.1 ttt180 -68.54 -44.87 73.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.591 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 74.2 mtp -54.57 -43.86 72.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.593 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.515 ' O ' HG12 ' A' ' 83' ' ' VAL . 86.1 mt -62.37 -23.8 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.552 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -85.96 -18.65 32.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.596 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -86.66 -15.11 40.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.604 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.616 ' O ' ' CG1' ' A' ' 83' ' ' VAL . 7.7 p -89.69 82.58 2.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.604 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 55.3 p-10 -41.06 161.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.516 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 86.9 m -118.94 121.18 39.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.657 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -149.82 0.15 0.47 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.49 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.411 ' O ' HG11 ' A' ' 91' ' ' VAL . 47.4 t -175.94 86.31 0.29 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.512 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.509 ' O ' ' CB ' ' A' ' 92' ' ' PHE . 31.6 Cg_endo -66.95 -16.51 49.87 Favored 'Trans proline' 0 C--N 1.305 -1.738 0 C-N-CA 122.779 2.319 . . . . 0.0 112.051 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 16.2 ptt-85 -85.15 -34.96 22.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.509 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -78.27 -58.11 3.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.505 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.477 ' CG1' ' N ' ' A' ' 92' ' ' PHE . 9.6 p -56.98 -51.54 67.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.526 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.509 ' CB ' ' O ' ' A' ' 88' ' ' PRO . 81.0 t80 -45.79 -52.54 11.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.489 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -67.49 -30.67 70.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.522 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 15.9 tpp180 -71.36 -58.11 3.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.492 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.442 ' CG2' ' N ' ' A' ' 96' ' ' ALA . 28.8 m -59.24 -48.1 88.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.556 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.442 ' N ' ' CG2' ' A' ' 95' ' ' VAL . . . -55.04 -27.69 46.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.542 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -81.9 -38.9 24.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.546 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 99' ' ' MET . 99.5 m-20 -63.14 -38.7 92.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.532 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' MET . . . . . 0.495 ' HB2' HH21 ' A' ' 109' ' ' ARG . 64.0 mtt -38.35 -68.95 0.13 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.537 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.601 ' CD2' ' O ' ' A' ' 100' ' ' PHE . 15.8 p90 -111.18 57.6 0.62 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.564 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.3 t -74.74 -26.8 60.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.571 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . 0.535 ' O ' ' C ' ' A' ' 103' ' ' GLY . 54.6 p-10 -155.6 -18.3 0.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.536 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.535 ' C ' ' O ' ' A' ' 102' ' ' ASP . . . -26.37 -80.67 0.01 OUTLIER Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . 0.608 ' O ' ' CG ' ' A' ' 105' ' ' PHE . 28.1 t-20 174.5 34.42 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.804 0.335 . . . . 0.0 110.568 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.608 ' CG ' ' O ' ' A' ' 104' ' ' ASN . 32.0 p90 42.6 29.15 0.15 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.555 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.546 ' CG ' ' H ' ' A' ' 107' ' ' TRP . 28.5 p30 -52.2 -110.43 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.547 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' TRP . . . . . 0.546 ' H ' ' CG ' ' A' ' 106' ' ' ASN . 6.7 t90 174.55 -26.15 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.561 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . 0.428 ' O ' HG13 ' A' ' 111' ' ' VAL . . . -50.18 -42.07 40.0 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . 0.495 HH21 ' HB2' ' A' ' 99' ' ' MET . 0.0 OUTLIER -48.14 -26.0 1.7 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.783 0.325 . . . . 0.0 110.582 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.486 ' N ' ' HD3' ' A' ' 109' ' ' ARG . 36.6 t -52.68 -57.91 3.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.477 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.556 ' CG1' ' N ' ' A' ' 112' ' ' ALA . 4.5 p -45.24 -46.76 3.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.535 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.556 ' N ' ' CG1' ' A' ' 111' ' ' VAL . . . -58.12 -35.08 70.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.513 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.2 tt -56.82 -46.76 81.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.541 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.433 ' CZ ' ' CG1' ' A' ' 110' ' ' VAL . 10.3 m-85 -57.25 -44.02 83.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.546 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 92.0 t80 -68.05 -43.58 78.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.511 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 94.0 t80 -59.12 -41.85 89.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.535 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -71.01 -32.49 69.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.551 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 5.1 t -48.65 -44.21 37.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.496 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.819 ' O ' ' CB ' ' A' ' 123' ' ' LYS . 56.4 mmtt -59.98 -43.63 94.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.536 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 51.1 mt -68.17 -30.9 70.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.557 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.408 ' O ' ' CD1' ' A' ' 133' ' ' ILE . 60.4 t -77.4 -53.49 14.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.562 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 68.4 mt -73.13 -40.52 64.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.529 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.819 ' CB ' ' O ' ' A' ' 119' ' ' LYS . 89.1 tttt -58.37 -40.86 83.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.542 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.467 ' O ' ' OG1' ' A' ' 127' ' ' THR . . . -76.3 -20.54 57.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.574 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 35.6 tp -64.44 -30.55 71.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.568 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . 0.497 ' SG ' ' N ' ' A' ' 127' ' ' THR . 8.5 p -84.57 -35.78 22.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.569 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' THR . . . . . 0.559 ' O ' ' CB ' ' A' ' 128' ' ' LYS . 38.8 p -54.35 -17.04 2.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.586 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.559 ' CB ' ' O ' ' A' ' 127' ' ' THR . 47.6 tttm 85.14 46.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.579 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . 0.529 ' CG2' ' OG1' ' A' ' 127' ' ' THR . 0.2 OUTLIER -148.37 86.91 5.79 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.57 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -69.22 -15.44 39.12 Favored 'Trans proline' 0 C--N 1.304 -1.77 0 C-N-CA 122.84 2.36 . . . . 0.0 112.066 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -63.57 -42.02 98.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.504 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 8.6 mp -60.09 -34.19 73.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.521 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . 0.408 ' CD1' ' O ' ' A' ' 121' ' ' VAL . 21.4 mm -56.91 -50.05 76.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.51 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 91.2 mtm-85 -69.28 -34.69 75.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.502 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 8.3 m -67.23 -32.01 72.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.494 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 47.7 mt -69.68 -58.84 4.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.539 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' MET . . . . . 0.414 ' O ' ' OG1' ' A' ' 140' ' ' THR . 49.6 mtt -46.44 -25.58 0.69 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.523 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -68.56 -40.58 86.08 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' TRP . . . . . 0.51 ' CD1' ' N ' ' A' ' 139' ' ' TRP . 13.3 m0 -66.27 -24.52 66.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.804 0.335 . . . . 0.0 110.518 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' THR . . . . . 0.479 ' OG1' ' N ' ' A' ' 141' ' ' LEU . 20.1 p -75.5 -65.79 0.85 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.562 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . 0.479 ' N ' ' OG1' ' A' ' 140' ' ' THR . 4.1 tp -51.83 -33.59 36.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.527 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -65.8 -51.08 61.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.56 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . 0.462 ' O ' ' HB2' ' A' ' 147' ' ' ARG . 38.6 t80 -66.73 -38.9 87.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.604 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 1.7 tp -71.06 -35.52 71.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.562 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 59.8 ttp180 -83.03 -10.67 58.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.569 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -112.0 -4.55 14.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.607 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . 1.153 ' O ' ' N ' ' A' ' 149' ' ' LEU . 22.8 mmt180 -142.28 -110.85 0.13 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.555 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . 0.697 ' O ' ' N ' ' A' ' 152' ' ' ILE . 1.0 OUTLIER -15.42 -27.72 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.57 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . 1.153 ' N ' ' O ' ' A' ' 147' ' ' ARG . 1.2 tt -49.18 -56.2 10.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.574 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -63.97 -50.55 60.03 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' TRP . . . . . . . . . . . . . 34.0 m95 -66.36 -55.79 14.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.827 0.346 . . . . 0.0 110.56 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' ILE . . . . . 0.697 ' N ' ' O ' ' A' ' 148' ' ' LEU . 8.2 tt -51.36 -34.24 14.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.553 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . 0.401 ' N ' HG22 ' A' ' 152' ' ' ILE . 55.5 tt0 -67.54 -31.17 71.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.57 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -89.16 -4.54 58.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.591 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -97.53 0.78 48.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.566 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 83.68 24.63 49.26 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 89.83 -160.3 28.62 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 158' ' ' TRP . . . . . 0.458 ' CE2' ' CD1' ' A' ' 152' ' ' ILE . 99.2 m95 -73.94 -5.69 42.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.778 0.323 . . . . 0.0 110.569 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -60.84 -42.45 97.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.593 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -54.44 -32.13 52.18 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 2.1 tt -63.02 -53.99 45.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.838 0.351 . . . . 0.0 110.566 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 44.1 tp -67.14 -31.06 71.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.539 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 5.1 t -66.81 -26.1 66.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.614 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 164' ' ' TYR . . . . . 0.42 ' C ' ' H ' ' A' ' 166' ' ' GLY . 91.1 t80 -76.9 -42.51 39.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.591 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -71.66 48.13 0.14 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.588 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 166' ' ' GLY . . . . . 0.42 ' H ' ' C ' ' A' ' 164' ' ' TYR . . . -131.3 39.53 1.76 Allowed Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 167' ' ' THR . . . . . 1.005 ' OG1' ' HD2' ' A' ' 168' ' ' PRO . 0.6 OUTLIER -108.94 178.58 1.01 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 120.898 0.38 . . . . 0.0 110.537 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 168' ' ' PRO . . . . . 1.005 ' HD2' ' OG1' ' A' ' 167' ' ' THR . 43.0 Cg_endo -71.45 -145.69 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.727 0 C-N-CA 122.777 2.318 . . . . 0.0 112.092 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 169' ' ' THR . . . . . 0.589 ' C ' ' O ' ' A' ' 168' ' ' PRO . 7.1 p -23.39 102.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.532 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 170' ' ' TRP . . . . . 0.618 ' O ' HG23 ' A' ' 173' ' ' VAL . 33.1 p90 -65.45 -18.52 65.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.551 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 171' ' ' GLN . . . . . 0.524 ' NE2' ' OG1' ' A' ' 172' ' ' THR . 5.4 pp0? -47.16 -14.35 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.581 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 172' ' ' THR . . . . . 0.524 ' OG1' ' NE2' ' A' ' 171' ' ' GLN . 4.9 m -86.73 -29.56 22.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.574 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 173' ' ' VAL . . . . . 0.618 HG23 ' O ' ' A' ' 170' ' ' TRP . 2.0 m -72.1 -45.64 61.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.596 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 174' ' ' THR . . . . . 0.566 ' N ' ' CG2' ' A' ' 173' ' ' VAL . 24.7 m -64.59 -24.95 67.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.535 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 175' ' ' ILE . . . . . 0.423 HG23 ' O ' ' A' ' 172' ' ' THR . 1.6 tt -85.75 -7.53 10.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.573 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 176' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -94.65 -60.05 1.79 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.563 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 3.2 m -62.11 -16.71 16.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.582 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 178' ' ' ALA . . . . . 0.635 ' O ' ' OG1' ' A' ' 182' ' ' THR . . . -95.52 -45.91 6.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.599 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -62.3 -26.2 67.59 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 180' ' ' VAL . . . . . 0.517 ' CG1' ' N ' ' A' ' 181' ' ' LEU . 13.8 p -86.24 -51.74 12.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.802 0.334 . . . . 0.0 110.557 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . 0.517 ' N ' ' CG1' ' A' ' 180' ' ' VAL . 38.2 tp -69.31 -47.96 62.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.604 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 182' ' ' THR . . . . . 0.635 ' OG1' ' O ' ' A' ' 178' ' ' ALA . 25.3 m -50.48 -51.43 47.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.558 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -47.35 -45.72 24.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.564 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 184' ' ' SER . . . . . . . . . . . . . 29.4 t -54.45 -37.84 65.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.559 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 55.2 mt -77.71 -21.66 51.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.542 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 21.6 m -73.28 -44.88 58.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.576 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 187' ' ' ILE . . . . . 0.504 ' O ' ' C ' ' A' ' 188' ' ' TRP . 12.9 tt -73.61 -51.71 23.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.579 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 188' ' ' TRP . . . . . 0.504 ' C ' ' O ' ' A' ' 187' ' ' ILE . 0.2 OUTLIER -30.65 -56.96 0.21 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.589 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 7.6 mmtt -175.74 128.28 0.24 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.509 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 190' ' ' LYS . . . . . . . . . . . . . 14.6 ptmt -109.89 89.58 3.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.554 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 191' ' ' MET . . . . . . . . . . . . . 91.4 mtp -128.61 136.59 50.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.537 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.738 0 CA-C-O 118.03 -1.428 . . . . 0.0 110.932 -179.993 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 130' ' ' CYS . . . . . 0.748 ' SG ' ' HG3' ' B' ' 131' ' ' GLU . 0.5 OUTLIER . . . . . 0 N--CA 1.491 1.602 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 131' ' ' GLU . . . . . 0.748 ' HG3' ' SG ' ' B' ' 130' ' ' CYS . 84.1 mt-10 -131.66 166.01 22.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.543 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 132' ' ' ALA . . . . . 0.594 ' O ' ' O ' ' B' ' 131' ' ' GLU . . . 51.83 120.86 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.532 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 133' ' ' LEU . . . . . 0.48 ' CD1' ' N ' ' B' ' 133' ' ' LEU . 8.8 mp -92.95 -5.46 50.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.59 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 134' ' ' LYS . . . . . . . . . . . . . 68.6 mttm 48.83 24.32 0.81 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.626 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 135' ' ' LYS . . . . . 0.582 ' HZ3' ' CD ' ' B' ' 139' ' ' ARG . 61.1 tttm -161.67 75.12 0.47 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.526 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 136' ' ' ALA . . . . . . . . . . . . . . . -172.45 9.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.55 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 76.2 mt -84.47 -81.08 0.19 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.566 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 138' ' ' ARG . . . . . . . . . . . . . 10.5 ptp85 -73.63 -24.64 60.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.542 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 139' ' ' ARG . . . . . 0.582 ' CD ' ' HZ3' ' B' ' 135' ' ' LYS . 75.7 ttt-85 -61.81 -43.12 99.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.581 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 140' ' ' HIS . . . . . 0.649 ' O ' ' N ' ' B' ' 143' ' ' LEU . 0.1 OUTLIER -79.56 -64.91 1.08 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.531 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 141' ' ' ARG . . . . . 0.508 ' N ' ' CG ' ' B' ' 140' ' ' HIS . 58.3 ttp180 -34.24 -32.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.511 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 142' ' ' PHE . . . . . 0.536 ' N ' ' O ' ' B' ' 140' ' ' HIS . 69.1 t80 -90.6 -33.06 16.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.559 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 143' ' ' LEU . . . . . 0.649 ' N ' ' O ' ' B' ' 140' ' ' HIS . 39.5 tp -54.78 -36.12 64.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.568 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 144' ' ' TRP . . . . . 0.501 ' O ' ' C ' ' B' ' 145' ' ' GLN . 45.3 t90 -84.36 -58.71 2.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.542 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 145' ' ' GLN . . . . . 0.586 ' O ' ' N ' ' B' ' 147' ' ' ARG . 57.0 tt0 -31.68 -68.85 0.08 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.614 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 146' ' ' ARG . . . . . . . . . . . . . 60.3 ttm-85 51.91 -81.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.57 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 147' ' ' ARG . . . . . 0.586 ' N ' ' O ' ' B' ' 145' ' ' GLN . 68.5 ttt180 -138.24 137.3 37.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.581 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 148' ' ' GLN . . . . . . . . . . . . . 26.2 mp0 -71.82 134.32 46.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.589 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 51.49 76.38 0.17 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.594 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 150' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.49 0 CA-C-O 118.0 -1.0 . . . . 0.0 110.565 -179.999 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.7 ptp . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.761 ' OD1' ' N ' ' A' ' 3' ' ' GLY . 54.7 p30 -46.04 -56.91 4.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.584 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.761 ' N ' ' OD1' ' A' ' 2' ' ' ASP . . . 84.15 -80.52 1.82 Allowed Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 38.1 m -129.98 -43.36 1.21 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.812 0.339 . . . . 0.0 110.46 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 169.72 -163.05 36.56 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.874 -0.891 . . . . 0.0 110.874 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.823 ' O ' ' HB3' ' A' ' 7' ' ' GLN . 1.1 mp0 -128.72 108.92 10.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.747 0.308 . . . . 0.0 110.493 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.916 ' HA ' HE21 ' A' ' 7' ' ' GLN . 1.9 tp-100 99.83 25.57 0.0 OUTLIER Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.463 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.853 ' CD ' ' N ' ' A' ' 7' ' ' GLN . 26.2 Cg_endo -65.39 141.39 67.8 Favored 'Trans proline' 0 C--N 1.305 -1.738 0 C-N-CA 122.774 2.316 . . . . 0.0 111.994 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 8.9 mtp180 -126.23 122.68 36.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.722 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.412 ' C ' ' H ' ' A' ' 12' ' ' GLY . . . -146.94 124.74 2.03 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.876 -0.89 . . . . 0.0 110.876 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -73.12 7.6 10.1 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.412 ' H ' ' C ' ' A' ' 10' ' ' GLY . . . -131.49 98.33 0.38 Allowed Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.85 ' O ' ' N ' ' A' ' 15' ' ' SER . 53.2 Cg_exo -47.62 -70.74 0.06 OUTLIER 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 122.768 2.312 . . . . 0.0 112.165 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.621 ' C ' ' O ' ' A' ' 13' ' ' PRO . 30.3 p -20.27 74.81 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.594 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 1.118 ' O ' HD11 ' A' ' 19' ' ' ILE . 1.1 p -128.83 -153.24 0.56 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.519 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.6 m -98.63 -12.75 20.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.568 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -84.19 -49.77 8.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.637 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.49 ' CD ' ' O ' ' A' ' 18' ' ' GLN . 3.5 tm0? -65.97 -22.8 66.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.508 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 1.118 HD11 ' O ' ' A' ' 15' ' ' SER . 90.6 mt -82.1 -55.85 7.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.433 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 51.0 ttp -52.59 -36.87 57.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.574 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 64.3 mmtt -66.85 -46.58 74.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.591 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 33.0 m -72.17 -7.24 48.06 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.512 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -80.08 -54.05 3.98 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.64 -8.81 59.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.736 0.303 . . . . 0.0 110.468 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.551 ' O ' ' C ' ' A' ' 26' ' ' LEU . 6.2 mt -86.93 -80.87 0.24 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.514 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.551 ' C ' ' O ' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -26.75 -65.93 0.07 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.596 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.419 ' C ' ' N ' ' A' ' 29' ' ' GLY . 5.6 tp -51.03 -57.93 7.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.542 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.426 ' O ' ' CD2' ' A' ' 45' ' ' LEU . 8.1 tm0? -47.36 -18.12 0.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.617 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.539 ' O ' ' N ' ' A' ' 31' ' ' ILE . . . -88.56 -72.71 1.28 Allowed Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 42.7 t80 -42.23 -18.83 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.825 0.345 . . . . 0.0 110.568 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.539 ' N ' ' O ' ' A' ' 29' ' ' GLY . 88.8 mt -77.02 -69.16 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.557 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.517 ' CG ' ' O ' ' A' ' 32' ' ' GLN . 9.3 tt0 -79.0 30.04 0.21 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.57 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.449 ' H ' ' C ' ' A' ' 31' ' ' ILE . 66.4 t0 -112.94 -51.06 2.85 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.554 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 -91.17 -27.1 18.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.555 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -99.53 -12.63 19.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.576 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -62.28 -142.47 0.01 OUTLIER Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 94.0 mtt-85 55.27 26.85 9.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.802 0.334 . . . . 0.0 110.574 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 90.4 mtp -84.44 132.96 34.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.584 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -73.92 156.58 50.63 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 85.6 7.96 81.08 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.43 ' HG2' ' H ' ' A' ' 42' ' ' ALA . 24.5 tt0 44.76 -139.32 0.37 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.814 0.34 . . . . 0.0 110.517 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.559 ' N ' ' HD3' ' A' ' 43' ' ' PRO . . . 47.98 51.92 11.52 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.543 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.559 ' HD3' ' N ' ' A' ' 42' ' ' ALA . 59.6 Cg_exo -46.52 155.1 0.8 Allowed 'Trans proline' 0 C--N 1.305 -1.752 0 C-N-CA 122.84 2.36 . . . . 0.0 112.132 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.425 ' OE1' ' N ' ' A' ' 44' ' ' GLU . 54.1 mp0 -95.64 -7.88 36.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.564 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.513 ' HG ' ' O ' ' A' ' 45' ' ' LEU . 50.5 tp -99.49 60.06 1.13 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.579 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.825 ' O ' ' CG ' ' A' ' 47' ' ' LEU . . . -63.18 148.52 47.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.494 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.825 ' CG ' ' O ' ' A' ' 46' ' ' ALA . 1.5 pp 109.99 143.04 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.549 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.515 ' C ' ' O ' ' A' ' 47' ' ' LEU . 3.6 t0 30.07 85.22 0.15 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.524 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -69.4 -25.72 30.0 Favored 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 122.717 2.278 . . . . 0.0 112.097 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.663 ' CG2' ' HD2' ' A' ' 51' ' ' PRO . 7.0 p -173.7 142.6 0.93 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.494 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.663 ' HD2' ' CG2' ' A' ' 50' ' ' VAL . 42.7 Cg_endo -71.14 -173.84 1.02 Allowed 'Trans proline' 0 C--N 1.305 -1.736 0 C-N-CA 122.819 2.346 . . . . 0.0 112.087 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -123.2 21.82 9.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.579 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.444 ' OD2' ' OG ' ' A' ' 55' ' ' SER . 52.8 p-10 -153.49 151.71 30.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.515 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -82.03 -4.0 55.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.594 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.444 ' OG ' ' OD2' ' A' ' 53' ' ' ASP . 78.2 p -56.29 -40.23 73.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.568 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.464 ' HG1' ' HG3' ' A' ' 51' ' ' PRO . 75.5 p -81.36 -33.72 32.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.486 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.0 mmmt -51.08 -54.44 24.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.543 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 29.9 ttpt -60.2 -47.37 86.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.594 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.31 -26.3 68.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.576 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.3 t -71.39 -35.4 71.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.546 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 75.5 mt-10 -63.76 -31.72 72.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.543 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 91.8 m -64.32 -37.78 88.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.496 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 10.5 mp -75.33 -24.75 57.44 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.515 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -84.35 -36.58 22.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.483 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.437 ' O ' ' OE2' ' A' ' 69' ' ' GLU . 99.8 mtt180 -68.55 -44.44 74.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.593 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 18.2 tt -76.47 -35.08 25.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.588 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.425 ' O ' ' CB ' ' A' ' 71' ' ' ASP . . . -60.98 -45.37 96.74 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.445 ' OD1' ' O ' ' A' ' 68' ' ' ASP . 68.4 t0 -62.74 -34.38 77.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.796 0.331 . . . . 0.0 110.61 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.552 ' OE1' ' N ' ' A' ' 69' ' ' GLU . 0.3 OUTLIER -79.62 -58.38 3.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.613 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 5.2 mt -55.14 -43.13 73.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.61 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.425 ' CB ' ' O ' ' A' ' 67' ' ' GLY . 38.9 t70 -65.01 -8.77 17.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.55 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.9 t -96.36 6.99 47.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.531 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -92.91 111.42 23.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.638 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 94.4 mmm -68.27 -11.17 58.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.563 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -80.39 -67.28 0.78 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.583 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 50.0 tp -59.81 -40.32 87.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.583 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 49.5 tt0 -61.71 -37.96 86.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.644 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 74.9 ttt180 -68.44 -44.94 73.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.576 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 74.2 mtp -54.55 -43.89 72.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.621 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.518 ' O ' HG12 ' A' ' 83' ' ' VAL . 86.3 mt -62.39 -23.67 32.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.559 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -86.13 -18.55 32.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.557 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -86.53 -15.42 40.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.576 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.614 ' O ' ' CG1' ' A' ' 83' ' ' VAL . 8.0 p -89.4 82.71 2.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.527 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.424 ' O ' ' O ' ' A' ' 83' ' ' VAL . 54.3 p-10 -40.67 162.41 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.503 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 48.5 p -119.6 119.89 35.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.644 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -148.98 -0.01 0.52 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.439 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.435 ' O ' HG11 ' A' ' 91' ' ' VAL . 41.5 t -175.81 88.32 0.29 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.501 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.489 ' O ' ' CB ' ' A' ' 92' ' ' PHE . 37.5 Cg_endo -69.13 -15.14 39.19 Favored 'Trans proline' 0 C--N 1.305 -1.735 0 C-N-CA 122.721 2.28 . . . . 0.0 112.128 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 16.4 ptt-85 -86.59 -33.88 20.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.524 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -79.68 -57.28 3.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.47 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.467 ' CG1' ' N ' ' A' ' 92' ' ' PHE . 9.1 p -57.76 -51.01 75.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.523 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.489 ' CB ' ' O ' ' A' ' 88' ' ' PRO . 85.6 t80 -46.29 -51.98 13.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.463 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -68.02 -30.54 69.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.439 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 16.0 tpp180 -71.49 -57.96 3.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.553 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.444 ' CG2' ' N ' ' A' ' 96' ' ' ALA . 27.7 m -59.37 -48.1 88.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.491 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.444 ' N ' ' CG2' ' A' ' 95' ' ' VAL . . . -55.08 -27.74 47.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.487 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -81.79 -39.02 24.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.53 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 99' ' ' MET . 99.4 m-20 -63.05 -38.64 91.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.596 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' MET . . . . . 0.409 ' C ' ' O ' ' A' ' 98' ' ' ASP . 65.2 mtt -38.42 -68.86 0.14 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.599 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.612 ' CD2' ' O ' ' A' ' 100' ' ' PHE . 19.7 p90 -111.31 57.59 0.63 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.603 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.1 t -74.65 -26.79 60.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.641 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . 0.536 ' O ' ' C ' ' A' ' 103' ' ' GLY . 55.3 p-10 -155.64 -18.31 0.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.572 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.536 ' C ' ' O ' ' A' ' 102' ' ' ASP . . . -26.38 -80.7 0.01 OUTLIER Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . 0.608 ' O ' ' CG ' ' A' ' 105' ' ' PHE . 9.9 m-20 174.52 34.3 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.755 0.312 . . . . 0.0 110.592 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.608 ' CG ' ' O ' ' A' ' 104' ' ' ASN . 30.6 p90 42.66 29.13 0.15 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.543 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.535 ' CG ' ' H ' ' A' ' 107' ' ' TRP . 26.7 p30 -52.1 -110.54 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.557 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' TRP . . . . . 0.535 ' H ' ' CG ' ' A' ' 106' ' ' ASN . 6.5 t90 174.65 -26.13 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.512 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . 0.44 ' O ' HG13 ' A' ' 111' ' ' VAL . . . -50.07 -42.21 39.33 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . 0.472 ' H ' ' HG3' ' A' ' 109' ' ' ARG . 0.0 OUTLIER -48.12 -26.1 1.73 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.74 0.305 . . . . 0.0 110.533 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.468 HG23 ' NE1' ' A' ' 107' ' ' TRP . 34.7 t -52.49 -57.95 3.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.55 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.556 ' CG1' ' N ' ' A' ' 112' ' ' ALA . 4.7 p -45.23 -46.75 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.596 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.556 ' N ' ' CG1' ' A' ' 111' ' ' VAL . . . -58.17 -34.89 70.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.519 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 1.9 tt -57.0 -46.95 81.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.522 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -57.1 -44.07 82.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.619 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 92.0 t80 -67.86 -43.79 78.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.503 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 93.4 t80 -58.99 -41.79 88.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.541 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -70.95 -32.68 69.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.48 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 5.2 t -48.56 -44.43 36.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.524 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.811 ' O ' ' CB ' ' A' ' 123' ' ' LYS . 55.1 mmtt -59.68 -43.66 93.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.524 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 52.6 mt -68.15 -31.36 70.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.518 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 75.6 t -77.13 -53.36 14.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.511 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 70.0 mt -72.84 -41.19 65.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.576 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.811 ' CB ' ' O ' ' A' ' 119' ' ' LYS . 43.1 tptt -57.98 -41.55 83.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.551 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.498 ' O ' ' OG1' ' A' ' 127' ' ' THR . . . -75.05 -22.0 58.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.595 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 6.3 tt -63.0 -32.42 73.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.564 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 34.3 t -83.16 -35.64 25.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.638 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' THR . . . . . 0.763 ' O ' ' HB2' ' A' ' 128' ' ' LYS . 54.8 p -53.67 -18.8 3.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.588 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.763 ' HB2' ' O ' ' A' ' 127' ' ' THR . 61.3 mttp 87.39 44.8 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.574 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 48.5 t -147.91 89.54 5.28 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.534 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -71.38 -15.02 31.3 Favored 'Trans proline' 0 C--N 1.305 -1.734 0 C-N-CA 122.69 2.26 . . . . 0.0 112.028 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . 0.519 ' O ' HG23 ' A' ' 135' ' ' THR . 80.9 tt0 -64.46 -39.38 93.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.502 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.509 ' HA ' ' OG1' ' A' ' 135' ' ' THR . 2.2 tp -62.94 -32.27 73.54 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.527 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 97.5 mt -58.88 -49.46 82.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.472 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . 0.434 HH21 ' HB1' ' A' ' 46' ' ' ALA . 88.8 mtt180 -69.34 -34.81 75.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.558 179.815 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' THR . . . . . 0.519 HG23 ' O ' ' A' ' 131' ' ' GLU . 67.0 p -67.06 -32.05 72.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.451 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . 0.404 ' N ' ' HG1' ' A' ' 135' ' ' THR . 48.0 mt -69.57 -59.03 3.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.53 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' MET . . . . . 0.429 ' O ' ' OG1' ' A' ' 140' ' ' THR . 85.2 mtp -46.38 -25.39 0.64 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.549 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -68.74 -40.48 85.29 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' TRP . . . . . 0.559 ' CD1' ' N ' ' A' ' 139' ' ' TRP . 9.1 m0 -66.35 -24.43 66.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.758 0.313 . . . . 0.0 110.533 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' THR . . . . . 0.469 ' OG1' ' N ' ' A' ' 141' ' ' LEU . 22.9 p -75.49 -65.89 0.84 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.593 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . 0.469 ' N ' ' OG1' ' A' ' 140' ' ' THR . 54.5 mt -51.81 -33.63 36.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.514 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -65.65 -51.1 62.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.589 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . 0.457 ' O ' ' HB2' ' A' ' 147' ' ' ARG . 38.6 t80 -66.8 -38.94 87.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.505 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 2.2 tp -71.03 -35.53 72.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.577 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 58.6 ttp180 -83.02 -10.64 58.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.583 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -112.06 -4.59 14.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.528 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . 1.152 ' O ' ' N ' ' A' ' 149' ' ' LEU . 23.1 mmt180 -142.16 -110.81 0.13 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.556 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . 0.695 ' O ' ' N ' ' A' ' 152' ' ' ILE . 1.0 OUTLIER -15.5 -27.79 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.536 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . 1.152 ' N ' ' O ' ' A' ' 147' ' ' ARG . 52.6 tp -49.04 -56.4 9.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.545 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -63.8 -50.66 59.69 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 151' ' ' TRP . . . . . . . . . . . . . 98.8 m95 -66.21 -55.91 13.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.805 0.336 . . . . 0.0 110.579 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 152' ' ' ILE . . . . . 0.695 ' N ' ' O ' ' A' ' 148' ' ' LEU . 10.2 tt -51.33 -34.24 14.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.605 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -67.5 -31.1 70.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.59 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . 0.458 ' OD1' ' O ' ' A' ' 154' ' ' ASP . 53.5 t0 -89.28 -4.6 58.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.539 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -97.48 0.82 48.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.544 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 83.71 24.78 48.62 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 89.73 -160.35 28.78 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . 49.2 m95 -73.91 -5.69 42.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.839 0.352 . . . . 0.0 110.563 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -60.81 -42.47 97.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.556 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -54.46 -32.18 52.32 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.871 -0.892 . . . . 0.0 110.871 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 1.9 tt -62.95 -54.04 44.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.783 0.325 . . . . 0.0 110.56 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 62.2 tp -66.98 -31.2 71.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.562 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 5.6 t -66.62 -26.47 67.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.597 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 164' ' ' TYR . . . . . 0.421 ' C ' ' H ' ' A' ' 166' ' ' GLY . 93.5 t80 -76.32 -42.83 43.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.547 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -71.69 47.93 0.14 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.573 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 166' ' ' GLY . . . . . 0.421 ' H ' ' C ' ' A' ' 164' ' ' TYR . . . -130.71 39.0 1.85 Allowed Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 167' ' ' THR . . . . . 1.084 ' OG1' ' HD2' ' A' ' 168' ' ' PRO . 0.6 OUTLIER -108.45 -178.86 0.61 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 120.855 0.36 . . . . 0.0 110.602 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 168' ' ' PRO . . . . . 1.084 ' HD2' ' OG1' ' A' ' 167' ' ' THR . 56.9 Cg_endo -74.75 -146.35 0.03 OUTLIER 'Trans proline' 0 C--N 1.305 -1.718 0 C-N-CA 122.846 2.364 . . . . 0.0 112.102 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 169' ' ' THR . . . . . 0.597 ' C ' ' O ' ' A' ' 168' ' ' PRO . 29.4 p -22.12 100.49 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.567 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 170' ' ' TRP . . . . . 0.618 ' O ' HG23 ' A' ' 173' ' ' VAL . 29.9 p90 -64.32 -18.63 64.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.628 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 171' ' ' GLN . . . . . 0.529 ' NE2' ' OG1' ' A' ' 172' ' ' THR . 5.3 pp0? -47.14 -14.15 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.549 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 172' ' ' THR . . . . . 0.529 ' OG1' ' NE2' ' A' ' 171' ' ' GLN . 5.0 m -87.02 -29.52 21.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.508 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 173' ' ' VAL . . . . . 0.618 HG23 ' O ' ' A' ' 170' ' ' TRP . 2.0 m -72.07 -45.66 62.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.572 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 174' ' ' THR . . . . . 0.567 ' N ' ' CG2' ' A' ' 173' ' ' VAL . 25.2 m -64.63 -24.86 67.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.53 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 175' ' ' ILE . . . . . 0.415 ' O ' ' CG2' ' A' ' 175' ' ' ILE . 90.5 mt -85.78 -7.53 10.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.528 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 176' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -94.67 -60.05 1.79 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.554 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 3.1 m -62.14 -16.76 16.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.59 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 178' ' ' ALA . . . . . 0.633 ' O ' ' OG1' ' A' ' 182' ' ' THR . . . -95.45 -45.97 6.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.556 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -62.28 -26.2 67.54 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 180' ' ' VAL . . . . . 0.519 ' CG1' ' N ' ' A' ' 181' ' ' LEU . 13.7 p -86.21 -51.78 12.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.81 0.338 . . . . 0.0 110.496 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . 0.519 ' N ' ' CG1' ' A' ' 180' ' ' VAL . 42.1 tp -69.27 -47.96 63.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.599 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 182' ' ' THR . . . . . 0.633 ' OG1' ' O ' ' A' ' 178' ' ' ALA . 25.6 m -50.57 -51.33 49.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.562 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -47.41 -45.65 25.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.594 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 184' ' ' SER . . . . . . . . . . . . . 29.7 t -54.43 -37.91 65.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.542 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 59.8 mt -77.62 -21.77 51.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.539 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 20.7 m -73.23 -44.86 58.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.563 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 187' ' ' ILE . . . . . 0.504 ' O ' ' C ' ' A' ' 188' ' ' TRP . 12.6 tt -73.71 -51.56 24.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.561 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 188' ' ' TRP . . . . . 0.504 ' C ' ' O ' ' A' ' 187' ' ' ILE . 0.2 OUTLIER -30.74 -56.98 0.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.552 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 8.0 mmtt -175.71 128.28 0.24 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.617 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 190' ' ' LYS . . . . . . . . . . . . . 14.2 ptmt -109.95 89.54 3.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.557 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 191' ' ' MET . . . . . . . . . . . . . 92.3 mtp -128.54 136.59 50.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.583 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.717 0 CA-C-O 117.981 -1.455 . . . . 0.0 110.93 -179.98 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 130' ' ' CYS . . . . . 0.511 ' O ' ' SG ' ' B' ' 130' ' ' CYS . 2.1 t . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 131' ' ' GLU . . . . . 0.714 ' O ' ' O ' ' B' ' 132' ' ' ALA . 84.7 tt0 -103.69 149.59 24.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.572 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 132' ' ' ALA . . . . . 0.714 ' O ' ' O ' ' B' ' 131' ' ' GLU . . . 44.8 164.72 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.629 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 51.5 mt -92.45 104.65 16.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.53 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 134' ' ' LYS . . . . . . . . . . . . . 36.7 ttpt -59.96 -42.81 94.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.61 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 135' ' ' LYS . . . . . . . . . . . . . 99.8 mttt -92.09 154.84 18.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.558 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 136' ' ' ALA . . . . . . . . . . . . . . . 73.57 45.32 0.25 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.578 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 137' ' ' LEU . . . . . 0.402 ' C ' ' NH2' ' B' ' 141' ' ' ARG . 66.0 mt -81.87 -162.55 0.55 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.543 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 138' ' ' ARG . . . . . 0.494 ' N ' ' NH2' ' B' ' 141' ' ' ARG . 17.6 ptm180 -68.28 -5.85 20.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.607 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 139' ' ' ARG . . . . . . . . . . . . . 90.7 mtm180 -62.84 -44.78 95.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.557 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 140' ' ' HIS . . . . . 0.761 ' O ' ' N ' ' B' ' 143' ' ' LEU . 71.3 m80 -79.05 -66.66 0.84 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.515 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 141' ' ' ARG . . . . . 0.494 ' NH2' ' N ' ' B' ' 138' ' ' ARG . 94.0 mtm-85 -32.44 -31.32 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.446 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 142' ' ' PHE . . . . . 0.603 ' N ' ' O ' ' B' ' 140' ' ' HIS . 22.8 m-85 -93.64 -28.45 15.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.419 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 143' ' ' LEU . . . . . 0.761 ' N ' ' O ' ' B' ' 140' ' ' HIS . 35.0 tp -59.92 -33.24 71.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.565 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 144' ' ' TRP . . . . . 0.475 ' O ' ' C ' ' B' ' 145' ' ' GLN . 65.2 t-105 -87.22 -54.95 4.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.591 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 145' ' ' GLN . . . . . 0.475 ' C ' ' O ' ' B' ' 144' ' ' TRP . 46.9 tt0 -34.29 -70.94 0.07 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.514 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 146' ' ' ARG . . . . . 0.486 ' NE ' ' O ' ' B' ' 143' ' ' LEU . 99.8 mtt180 46.16 21.69 0.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.532 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 147' ' ' ARG . . . . . 0.459 ' H ' ' HG2' ' B' ' 145' ' ' GLN . 29.3 mmt180 46.93 22.05 0.18 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.557 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 148' ' ' GLN . . . . . . . . . . . . . 59.2 tp60 -77.91 137.07 38.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.522 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 44.1 ttm180 -138.71 138.95 38.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.567 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 150' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.415 0 CA-C-O 117.984 -1.007 . . . . 0.0 110.549 179.99 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.5 ptt? . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.667 ' O ' ' HG3' ' A' ' 8' ' ' PRO . 18.1 p-10 -53.09 -59.82 4.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.566 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.582 ' N ' ' OD1' ' A' ' 2' ' ' ASP . . . 93.64 -47.19 2.31 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 14.6 m -163.45 -33.38 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.715 0.293 . . . . 0.0 110.754 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -164.58 -117.34 0.4 Allowed Glycine 0 CA--C 1.524 0.646 0 N-CA-C 111.123 -0.791 . . . . 0.0 111.123 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.793 ' O ' ' CB ' ' A' ' 7' ' ' GLN . 7.5 tp10 -137.49 101.76 4.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.813 0.34 . . . . 0.0 110.709 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.793 ' CB ' ' O ' ' A' ' 6' ' ' GLU . 7.8 tp-100 112.61 43.36 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.683 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.748 ' HD3' ' H ' ' A' ' 7' ' ' GLN . 55.5 Cg_endo -74.17 74.6 3.52 Favored 'Trans proline' 0 C--N 1.305 -1.758 0 C-N-CA 122.86 2.373 . . . . 0.0 111.999 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.633 ' O ' ' O ' ' A' ' 8' ' ' PRO . 28.6 mtp180 -28.02 153.46 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.731 -179.854 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.61 ' O ' ' C ' ' A' ' 11' ' ' GLY . . . -143.95 55.42 0.56 Allowed Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.61 ' C ' ' O ' ' A' ' 10' ' ' GLY . . . 18.08 83.91 0.01 OUTLIER Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.514 ' N ' ' HD3' ' A' ' 13' ' ' PRO . . . 82.91 53.47 3.51 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.958 ' O ' ' N ' ' A' ' 15' ' ' SER . 53.9 Cg_exo -45.61 -80.98 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.727 0 C-N-CA 122.766 2.311 . . . . 0.0 112.124 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.646 ' C ' ' O ' ' A' ' 13' ' ' PRO . 25.0 p -13.8 65.74 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.566 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 1.058 ' O ' HD11 ' A' ' 19' ' ' ILE . 53.1 p -42.45 86.08 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.563 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.623 ' N ' ' O ' ' A' ' 14' ' ' THR . 30.9 m -95.35 -18.51 20.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.602 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -90.94 -50.24 5.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.629 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.5 tm0? -55.12 -34.07 63.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.705 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 1.058 HD11 ' O ' ' A' ' 15' ' ' SER . 63.6 mt -73.76 -51.49 24.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.798 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 47.7 ttp -57.58 -35.49 70.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.739 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -69.04 -42.05 76.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.718 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 30.1 m -74.22 -14.63 60.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.68 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -73.97 -54.08 6.67 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.59 -11.26 59.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.778 0.323 . . . . 0.0 110.635 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.528 ' O ' ' C ' ' A' ' 26' ' ' LEU . 2.2 mm? -86.1 -78.03 0.29 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.598 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.528 ' C ' ' O ' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -29.5 -64.34 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.567 -179.948 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.408 ' O ' HG13 ' A' ' 31' ' ' ILE . 11.0 mp -52.6 -56.37 15.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.61 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.59 HE22 ' HB3' ' A' ' 45' ' ' LEU . 34.8 tp60 -48.81 -18.04 0.24 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.66 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.527 ' O ' ' N ' ' A' ' 31' ' ' ILE . . . -88.59 -72.27 1.27 Allowed Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 42.9 t80 -42.59 -18.85 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.804 0.335 . . . . 0.0 110.604 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.527 ' N ' ' O ' ' A' ' 29' ' ' GLY . 90.3 mt -77.05 -68.83 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.611 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.538 ' CD ' HE21 ' A' ' 28' ' ' GLN . 15.7 pt20 -79.05 29.76 0.21 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.593 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.449 ' H ' ' C ' ' A' ' 31' ' ' ILE . 65.8 t0 -112.78 -50.98 2.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.582 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 15.7 ptm180 -91.32 -26.95 18.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.577 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -99.05 -13.15 19.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.533 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -100.62 118.74 6.28 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 80.3 mtp85 -91.66 164.58 13.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.819 0.342 . . . . 0.0 110.589 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 65.4 ttp -61.41 -40.73 95.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.565 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -81.36 -170.54 43.89 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.891 -0.883 . . . . 0.0 110.891 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 82.64 165.42 36.92 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 73.2 tt0 -143.81 160.81 40.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.768 0.318 . . . . 0.0 110.57 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 62.51 73.44 0.53 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.465 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -73.37 134.76 21.31 Favored 'Trans proline' 0 C--N 1.306 -1.697 0 C-N-CA 122.837 2.358 . . . . 0.0 112.12 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.689 ' OE1' ' N ' ' A' ' 44' ' ' GLU . 54.9 mp0 -70.12 -20.42 63.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.593 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.613 ' H ' ' CD2' ' A' ' 45' ' ' LEU . 0.4 OUTLIER -86.56 64.51 8.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.603 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -78.34 137.39 38.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.555 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.524 ' CG ' ' H ' ' A' ' 48' ' ' ASP . 4.1 tp -174.69 -138.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.539 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.781 ' HB3' ' HD2' ' A' ' 49' ' ' PRO . 7.9 m-20 -90.7 174.52 4.48 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.539 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.781 ' HD2' ' HB3' ' A' ' 48' ' ' ASP . 55.8 Cg_endo -74.18 118.5 5.41 Favored 'Trans proline' 0 C--N 1.304 -1.767 0 C-N-CA 122.832 2.354 . . . . 0.0 112.102 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.744 ' HB ' ' HD2' ' A' ' 51' ' ' PRO . 2.8 m -5.38 170.96 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.555 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.744 ' HD2' ' HB ' ' A' ' 50' ' ' VAL . 56.0 Cg_endo -74.06 121.89 7.24 Favored 'Trans proline' 0 C--N 1.307 -1.655 0 C-N-CA 122.823 2.349 . . . . 0.0 112.21 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 57.7 tp60 -64.6 -52.58 56.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.589 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 49.0 t0 -71.35 150.58 44.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.615 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -83.44 -3.32 57.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.616 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 77.8 p -56.76 -39.94 74.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.563 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.413 ' OG1' ' CB ' ' A' ' 51' ' ' PRO . 45.9 p -81.05 -33.8 33.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.616 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.422 ' NZ ' ' OE2' ' A' ' 61' ' ' GLU . 4.5 tmtt? -50.75 -54.61 21.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.631 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 30.8 ttpt -60.16 -47.51 85.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.563 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.15 -26.33 68.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.553 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.3 t -71.33 -35.46 71.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.554 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.422 ' OE2' ' NZ ' ' A' ' 57' ' ' LYS . 97.2 mt-10 -63.67 -31.88 73.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.515 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 99.4 m -64.24 -37.81 88.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.601 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.415 ' N ' ' CD1' ' A' ' 63' ' ' LEU . 9.7 mp -75.19 -24.81 57.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.602 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -84.19 -36.7 22.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.56 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.438 ' O ' ' OE2' ' A' ' 69' ' ' GLU . 99.7 mtt180 -68.49 -44.49 74.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.54 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 20.5 tt -76.44 -35.01 25.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.636 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.425 ' O ' ' CB ' ' A' ' 71' ' ' ASP . . . -61.09 -45.43 96.59 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -62.73 -34.29 76.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.79 0.329 . . . . 0.0 110.591 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.527 ' OE1' ' N ' ' A' ' 69' ' ' GLU . 0.3 OUTLIER -79.64 -58.46 3.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.574 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.18 -43.07 74.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.557 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.529 ' OD1' ' NE2' ' A' ' 77' ' ' GLN . 38.8 t70 -65.09 -8.67 17.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.633 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.9 t -96.44 7.07 47.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.615 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -93.0 111.47 23.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.576 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 78.8 mtm -68.31 -11.22 59.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.524 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -80.35 -67.26 0.78 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.607 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 7.5 tp -59.91 -40.24 88.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.52 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.529 ' NE2' ' OD1' ' A' ' 71' ' ' ASP . 15.7 mm100 -61.83 -37.9 86.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.532 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 75.2 ttt180 -68.52 -44.94 73.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.561 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 73.9 mtp -54.48 -43.95 72.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.594 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.518 ' O ' HG12 ' A' ' 83' ' ' VAL . 81.4 mt -62.36 -23.78 33.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.538 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -85.88 -18.84 31.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.596 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -86.43 -15.41 40.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.59 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.612 ' O ' ' CG1' ' A' ' 83' ' ' VAL . 8.0 p -89.38 82.18 2.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.571 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.437 ' O ' ' O ' ' A' ' 83' ' ' VAL . 99.1 m-20 -40.05 162.51 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.561 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.418 HG21 ' NZ ' ' A' ' 123' ' ' LYS . 77.5 p -119.72 119.31 33.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.603 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 60.9 m-20 -148.2 0.02 0.6 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.531 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.418 ' O ' HG11 ' A' ' 91' ' ' VAL . 45.4 t -176.11 88.92 0.28 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.464 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.48 ' O ' ' CB ' ' A' ' 92' ' ' PHE . 38.1 Cg_endo -69.62 -14.42 36.51 Favored 'Trans proline' 0 C--N 1.305 -1.762 0 C-N-CA 122.82 2.347 . . . . 0.0 112.13 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 33.8 ptt-85 -86.63 -34.83 19.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.564 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -79.15 -57.8 3.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.554 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.48 ' CG1' ' N ' ' A' ' 92' ' ' PHE . 10.0 p -56.72 -51.35 67.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.556 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.48 ' CB ' ' O ' ' A' ' 88' ' ' PRO . 84.7 t80 -46.3 -52.04 13.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.543 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -68.14 -30.19 69.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.502 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.632 ' NE ' ' HE1' ' A' ' 188' ' ' TRP . 23.9 ttp180 -71.73 -57.65 4.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.471 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.445 ' CG2' ' N ' ' A' ' 96' ' ' ALA . 27.8 m -59.76 -48.09 88.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.554 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.445 ' N ' ' CG2' ' A' ' 95' ' ' VAL . . . -55.01 -27.75 46.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.569 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -81.82 -38.87 24.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.501 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 99' ' ' MET . 99.7 m-20 -63.19 -38.62 91.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.574 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' MET . . . . . 0.505 ' HB2' HH21 ' A' ' 109' ' ' ARG . 63.6 mtt -38.44 -68.89 0.14 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.559 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.605 ' CD2' ' O ' ' A' ' 100' ' ' PHE . 17.9 p90 -111.22 57.51 0.62 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.632 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.1 t -74.59 -26.85 60.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.595 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . 0.53 ' O ' ' C ' ' A' ' 103' ' ' GLY . 55.1 p-10 -155.63 -18.34 0.11 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.569 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.53 ' C ' ' O ' ' A' ' 102' ' ' ASP . . . -26.4 -80.6 0.01 OUTLIER Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . 0.606 ' O ' ' CG ' ' A' ' 105' ' ' PHE . 8.8 m-20 174.47 34.39 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.766 0.317 . . . . 0.0 110.579 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.606 ' CG ' ' O ' ' A' ' 104' ' ' ASN . 29.8 p90 42.69 29.0 0.14 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.5 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.544 ' CG ' ' H ' ' A' ' 107' ' ' TRP . 28.0 p30 -52.09 -110.52 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.593 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' TRP . . . . . 0.544 ' H ' ' CG ' ' A' ' 106' ' ' ASN . 6.7 t90 174.7 -26.18 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.474 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . 0.434 ' O ' HG13 ' A' ' 111' ' ' VAL . . . -50.19 -41.99 39.92 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . 0.505 HH21 ' HB2' ' A' ' 99' ' ' MET . 0.0 OUTLIER -48.13 -26.22 1.78 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.772 0.32 . . . . 0.0 110.575 179.945 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.483 HG23 ' NE1' ' A' ' 107' ' ' TRP . 36.1 t -52.5 -57.85 3.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.544 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.554 ' CG1' ' N ' ' A' ' 112' ' ' ALA . 4.6 p -45.32 -46.72 3.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.511 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.554 ' N ' ' CG1' ' A' ' 111' ' ' VAL . . . -58.0 -35.34 71.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.563 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.0 tt -56.65 -46.84 80.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.564 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.446 ' CZ ' ' CG1' ' A' ' 110' ' ' VAL . 9.8 m-85 -57.09 -44.18 82.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.549 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 93.3 t80 -67.99 -43.75 78.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.538 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 93.1 t80 -58.8 -42.03 88.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.573 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -70.84 -32.66 69.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.504 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 4.7 t -48.48 -44.62 35.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.557 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.82 ' O ' ' CB ' ' A' ' 123' ' ' LYS . 30.4 mmtm -59.53 -43.72 93.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.493 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 52.8 mt -67.98 -31.62 71.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.57 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.416 ' O ' ' CD1' ' A' ' 133' ' ' ILE . 49.2 t -76.77 -53.54 14.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.603 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 71.1 mt -72.91 -40.89 65.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.574 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.82 ' CB ' ' O ' ' A' ' 119' ' ' LYS . 88.7 tttt -58.07 -41.12 82.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.557 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -75.61 -22.12 57.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.594 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 54.2 tp -62.83 -32.41 73.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.523 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . 0.477 ' SG ' ' N ' ' A' ' 127' ' ' THR . 13.1 p -83.14 -35.45 25.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.594 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' THR . . . . . 0.762 ' O ' ' HB2' ' A' ' 128' ' ' LYS . 55.8 m -53.57 -18.76 3.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.516 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.762 ' HB2' ' O ' ' A' ' 127' ' ' THR . 42.2 mtmt 87.63 43.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.6 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 17.6 m -147.28 90.97 5.18 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.61 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -72.66 -14.46 27.27 Favored 'Trans proline' 0 C--N 1.305 -1.717 0 C-N-CA 122.788 2.325 . . . . 0.0 112.004 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -65.06 -39.87 93.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.496 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 2.1 tp -62.23 -32.52 73.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.577 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . 0.425 HD13 HG22 ' A' ' 133' ' ' ILE . 22.1 mm -58.8 -49.32 83.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.493 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 63.3 ttm-85 -69.57 -34.65 74.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.427 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 7.8 m -67.26 -31.77 72.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.52 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 45.5 mt -69.9 -58.67 4.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.524 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' MET . . . . . 0.433 ' O ' ' OG1' ' A' ' 140' ' ' THR . 65.2 ttp -46.64 -25.41 0.71 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.484 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -68.75 -40.47 85.25 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' TRP . . . . . 0.507 ' CD1' ' N ' ' A' ' 139' ' ' TRP . 12.6 m0 -66.3 -24.42 66.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.767 0.317 . . . . 0.0 110.564 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' THR . . . . . 0.468 ' OG1' ' N ' ' A' ' 141' ' ' LEU . 24.1 p -75.52 -65.81 0.85 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.574 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . 0.468 ' N ' ' OG1' ' A' ' 140' ' ' THR . 57.3 mt -51.8 -33.58 36.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.594 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -65.69 -51.13 61.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.564 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . 0.45 ' O ' ' HB2' ' A' ' 147' ' ' ARG . 5.9 t80 -66.8 -38.89 87.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.586 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 1.8 tp -71.04 -35.55 72.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.557 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 59.2 ttp180 -83.06 -10.67 58.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.593 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -111.96 -4.7 14.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.577 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . 1.152 ' O ' ' N ' ' A' ' 149' ' ' LEU . 11.4 mtp180 -142.02 -110.84 0.13 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.588 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . 0.696 ' O ' ' N ' ' A' ' 152' ' ' ILE . 1.0 OUTLIER -15.45 -27.72 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.504 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . 1.152 ' N ' ' O ' ' A' ' 147' ' ' ARG . 33.8 tp -49.13 -56.33 9.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.521 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -63.9 -50.68 59.32 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 151' ' ' TRP . . . . . . . . . . . . . 99.1 m95 -66.16 -55.94 13.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.859 0.361 . . . . 0.0 110.56 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 152' ' ' ILE . . . . . 0.696 ' N ' ' O ' ' A' ' 148' ' ' LEU . 10.5 tt -51.32 -34.36 14.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.546 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . 0.408 ' N ' HG22 ' A' ' 152' ' ' ILE . 12.3 tm0? -67.42 -31.18 71.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.619 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -89.11 -4.64 58.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.58 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -97.48 0.9 48.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.551 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 83.69 24.72 48.94 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 89.77 -160.34 28.72 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 158' ' ' TRP . . . . . 0.426 ' HE1' HG21 ' A' ' 19' ' ' ILE . 33.4 m95 -73.93 -5.69 42.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.767 0.318 . . . . 0.0 110.56 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -60.84 -42.44 97.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.606 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -54.36 -32.32 51.74 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.876 -0.89 . . . . 0.0 110.876 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 2.1 tt -62.87 -54.03 44.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.824 0.345 . . . . 0.0 110.579 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 49.1 tp -67.0 -31.14 71.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.581 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 5.2 t -66.63 -26.69 67.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.517 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 164' ' ' TYR . . . . . 0.422 ' C ' ' H ' ' A' ' 166' ' ' GLY . 94.3 t80 -76.07 -42.86 46.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.631 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -71.62 47.89 0.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.617 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 166' ' ' GLY . . . . . 0.422 ' H ' ' C ' ' A' ' 164' ' ' TYR . . . -130.65 38.9 1.87 Allowed Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 167' ' ' THR . . . . . 1.103 ' OG1' ' HD2' ' A' ' 168' ' ' PRO . 0.6 OUTLIER -108.53 -178.38 0.56 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 120.912 0.387 . . . . 0.0 110.569 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 168' ' ' PRO . . . . . 1.103 ' HD2' ' OG1' ' A' ' 167' ' ' THR . 57.2 Cg_endo -75.34 -147.01 0.03 OUTLIER 'Trans proline' 0 C--N 1.305 -1.759 0 C-N-CA 122.827 2.352 . . . . 0.0 112.082 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 169' ' ' THR . . . . . 0.602 ' C ' ' O ' ' A' ' 168' ' ' PRO . 20.1 p -21.35 100.23 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.552 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 170' ' ' TRP . . . . . 0.61 ' O ' HG23 ' A' ' 173' ' ' VAL . 34.0 p90 -64.18 -18.56 64.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.572 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 171' ' ' GLN . . . . . 0.551 ' NE2' ' OG1' ' A' ' 172' ' ' THR . 5.5 pp0? -47.21 -14.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.556 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 172' ' ' THR . . . . . 0.551 ' OG1' ' NE2' ' A' ' 171' ' ' GLN . 5.4 m -87.11 -29.56 21.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.5 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 173' ' ' VAL . . . . . 0.61 HG23 ' O ' ' A' ' 170' ' ' TRP . 1.9 m -72.07 -45.65 62.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.561 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 174' ' ' THR . . . . . 0.566 ' N ' ' CG2' ' A' ' 173' ' ' VAL . 24.9 m -64.56 -25.02 67.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.546 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 175' ' ' ILE . . . . . 0.426 HG23 ' O ' ' A' ' 172' ' ' THR . 1.7 tt -85.66 -7.59 10.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.575 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 176' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -94.61 -60.01 1.8 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.611 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 3.1 m -62.13 -16.75 16.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.536 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 178' ' ' ALA . . . . . 0.63 ' O ' ' OG1' ' A' ' 182' ' ' THR . . . -95.55 -45.91 6.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.578 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -62.27 -26.22 67.54 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 180' ' ' VAL . . . . . 0.522 ' CG1' ' N ' ' A' ' 181' ' ' LEU . 13.6 p -86.25 -51.72 12.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.829 0.347 . . . . 0.0 110.577 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . 0.522 ' N ' ' CG1' ' A' ' 180' ' ' VAL . 42.0 tp -69.31 -47.9 63.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.666 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 182' ' ' THR . . . . . 0.63 ' OG1' ' O ' ' A' ' 178' ' ' ALA . 26.1 m -50.54 -51.41 48.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.584 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -47.3 -45.71 24.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.602 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 184' ' ' SER . . . . . . . . . . . . . 27.4 t -54.5 -37.82 65.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.592 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 62.4 mt -77.65 -21.69 51.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.587 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 20.4 m -73.28 -44.89 58.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.53 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 187' ' ' ILE . . . . . 0.506 ' O ' ' C ' ' A' ' 188' ' ' TRP . 12.4 tt -73.72 -51.57 24.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.57 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 188' ' ' TRP . . . . . 0.632 ' HE1' ' NE ' ' A' ' 94' ' ' ARG . 8.0 t90 -30.67 -56.91 0.21 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.594 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 7.5 mmtt -175.77 128.25 0.24 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.572 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 190' ' ' LYS . . . . . . . . . . . . . 14.6 ptmt -109.92 89.55 3.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.577 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 191' ' ' MET . . . . . . . . . . . . . 82.5 mtp -128.58 136.64 50.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.577 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.789 0 CA-C-O 117.989 -1.451 . . . . 0.0 110.913 -179.958 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 130' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 131' ' ' GLU . . . . . 0.664 ' O ' ' CB ' ' B' ' 132' ' ' ALA . 90.8 mt-10 -53.59 -94.75 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.485 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 132' ' ' ALA . . . . . 0.664 ' CB ' ' O ' ' B' ' 131' ' ' GLU . . . 94.38 -72.58 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.569 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 10.9 mp -55.62 -48.63 74.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.527 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 134' ' ' LYS . . . . . . . . . . . . . 15.1 tptp 45.42 37.55 3.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.555 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 135' ' ' LYS . . . . . . . . . . . . . 13.6 mtpp -63.06 -43.74 97.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.577 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 136' ' ' ALA . . . . . . . . . . . . . . . -75.01 89.69 2.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.543 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 137' ' ' LEU . . . . . 0.58 ' C ' ' H ' ' B' ' 139' ' ' ARG . 3.6 tt -145.54 114.08 6.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.57 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 138' ' ' ARG . . . . . 0.448 ' O ' ' HB2' ' B' ' 142' ' ' PHE . 37.4 ttm180 69.48 -34.95 0.29 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.548 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 139' ' ' ARG . . . . . 0.58 ' H ' ' C ' ' B' ' 137' ' ' LEU . 15.7 tpp180 -59.44 -45.97 90.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.549 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 140' ' ' HIS . . . . . 0.789 ' O ' ' N ' ' B' ' 143' ' ' LEU . 73.2 m80 -77.61 -69.3 0.55 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.574 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 141' ' ' ARG . . . . . 0.487 ' C ' ' O ' ' B' ' 140' ' ' HIS . 34.8 ttm180 -30.89 -31.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.513 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 142' ' ' PHE . . . . . 0.652 ' N ' ' O ' ' B' ' 140' ' ' HIS . 19.2 m-85 -93.24 -28.04 16.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.52 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 143' ' ' LEU . . . . . 0.789 ' N ' ' O ' ' B' ' 140' ' ' HIS . 42.7 tp -60.88 -33.23 72.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.543 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 144' ' ' TRP . . . . . 0.47 ' O ' ' C ' ' B' ' 145' ' ' GLN . 73.3 t-105 -87.34 -54.83 4.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.449 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 145' ' ' GLN . . . . . 0.47 ' C ' ' O ' ' B' ' 144' ' ' TRP . 56.3 tt0 -34.04 -68.36 0.11 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.602 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 146' ' ' ARG . . . . . 0.704 ' O ' ' N ' ' B' ' 148' ' ' GLN . 35.6 ttm180 43.54 64.88 1.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.524 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 147' ' ' ARG . . . . . . . . . . . . . 79.0 ttt-85 41.73 -81.45 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.535 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 148' ' ' GLN . . . . . 0.704 ' N ' ' O ' ' B' ' 146' ' ' ARG . 16.7 pt20 -85.91 137.41 32.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.612 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 10.0 ptp85 -61.75 -14.71 34.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.539 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 150' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.504 0 CA-C-O 118.021 -0.99 . . . . 0.0 110.593 179.958 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.463 ' H2 ' ' H ' ' A' ' 2' ' ' ASP . 9.9 ptt? . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.508 ' OD1' ' N ' ' A' ' 3' ' ' GLY . 27.0 p-10 -60.02 -59.28 5.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.619 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.508 ' N ' ' OD1' ' A' ' 2' ' ' ASP . . . 79.38 -48.58 3.43 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.58 ' OG ' ' N ' ' A' ' 54' ' ' ALA . 0.4 OUTLIER -118.72 -37.13 3.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.751 0.31 . . . . 0.0 110.596 -179.901 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 148.31 177.47 22.65 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 1.045 ' O ' ' HB3' ' A' ' 7' ' ' GLN . 2.3 tp10 -130.97 101.7 5.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.791 0.329 . . . . 0.0 110.585 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 1.045 ' HB3' ' O ' ' A' ' 6' ' ' GLU . 0.5 OUTLIER 116.11 43.31 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.434 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.72 ' HD3' ' H ' ' A' ' 7' ' ' GLN . 37.1 Cg_endo -69.18 100.66 0.76 Allowed 'Trans proline' 0 C--N 1.305 -1.711 0 C-N-CA 122.895 2.396 . . . . 0.0 112.121 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 73.4 mtp180 -64.09 172.96 2.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.638 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.758 ' O ' ' HD3' ' A' ' 13' ' ' PRO . . . 155.52 12.63 0.05 OUTLIER Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.435 ' C ' ' O ' ' A' ' 10' ' ' GLY . . . -35.52 98.81 0.01 OUTLIER Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.071 -0.811 . . . . 0.0 111.071 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.568 ' N ' ' CD ' ' A' ' 13' ' ' PRO . . . 95.12 47.27 2.66 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.758 ' HD3' ' O ' ' A' ' 10' ' ' GLY . 45.3 Cg_endo -72.35 24.33 0.27 Allowed 'Trans proline' 0 C--N 1.305 -1.72 0 C-N-CA 122.842 2.361 . . . . 0.0 112.104 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.484 ' H ' ' C ' ' A' ' 12' ' ' GLY . 1.5 p -99.41 23.05 9.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.575 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.41 ' HG ' ' H ' ' A' ' 17' ' ' GLU . 90.5 p -98.83 -173.3 2.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.561 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.8 m -89.79 -10.25 46.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.513 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.41 ' H ' ' HG ' ' A' ' 15' ' ' SER . 66.1 mm-40 -73.23 -44.91 58.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.615 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.572 HE22 ' CG2' ' A' ' 22' ' ' THR . 2.1 tm0? -73.01 -21.23 60.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.563 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.472 HG23 ' HE1' ' A' ' 158' ' ' TRP . 30.3 mt -83.38 -56.95 4.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.439 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.448 ' SD ' ' C ' ' A' ' 20' ' ' MET . 2.1 tmt? -51.38 -37.02 45.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.597 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -67.19 -46.41 74.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.571 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.572 ' CG2' HE22 ' A' ' 18' ' ' GLN . 41.7 p -72.01 -6.84 45.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.587 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -80.77 -53.92 3.84 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.29 -9.23 59.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.804 0.335 . . . . 0.0 110.537 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.553 ' O ' ' C ' ' A' ' 26' ' ' LEU . 6.4 tt -86.67 -81.04 0.23 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.587 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.553 ' C ' ' O ' ' A' ' 25' ' ' LEU . 67.8 mt -26.36 -66.05 0.06 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.563 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.975 ' O ' HG13 ' A' ' 31' ' ' ILE . 3.8 tp -51.13 -58.08 7.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.512 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.423 ' O ' ' OE1' ' A' ' 28' ' ' GLN . 7.3 tp-100 -47.25 -17.91 0.08 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.527 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.546 ' O ' ' N ' ' A' ' 31' ' ' ILE . . . -88.77 -72.86 1.28 Allowed Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -42.08 -18.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.803 0.335 . . . . 0.0 110.631 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.975 HG13 ' O ' ' A' ' 27' ' ' LEU . 57.6 mt -76.93 -69.35 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.552 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.599 ' CB ' HD11 ' A' ' 45' ' ' LEU . 27.4 tt0 -78.69 29.62 0.2 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.588 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.455 ' H ' ' C ' ' A' ' 31' ' ' ILE . 66.5 t0 -112.43 -51.52 2.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.599 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 -90.65 -27.5 18.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.516 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -98.08 -13.78 20.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.567 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.43 ' O ' ' O ' ' A' ' 32' ' ' GLN . . . -143.23 83.16 0.21 Allowed Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.41 -51.09 71.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.78 0.324 . . . . 0.0 110.563 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.452 ' CG ' ' H ' ' A' ' 39' ' ' GLY . 22.2 tpp -170.56 -135.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.521 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.452 ' H ' ' CG ' ' A' ' 38' ' ' MET . . . 85.56 -47.66 3.86 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.936 -0.865 . . . . 0.0 110.936 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 57.61 36.52 78.57 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.984 -0.847 . . . . 0.0 110.984 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -94.97 82.76 3.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.847 0.356 . . . . 0.0 110.669 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.509 ' N ' ' HD3' ' A' ' 43' ' ' PRO . . . 57.74 57.69 7.2 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.621 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.596 ' HB3' ' NE2' ' A' ' 32' ' ' GLN . 50.2 Cg_exo -50.94 146.61 21.16 Favored 'Trans proline' 0 C--N 1.304 -1.771 0 C-N-CA 122.823 2.349 . . . . 0.0 112.079 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 56.3 mp0 -94.86 -13.92 25.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.533 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.599 HD11 ' CB ' ' A' ' 32' ' ' GLN . 45.1 mt -99.02 62.22 1.28 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.564 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.501 ' O ' ' HB2' ' A' ' 47' ' ' LEU . . . -71.65 136.92 47.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.619 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.501 ' HB2' ' O ' ' A' ' 46' ' ' ALA . 1.6 tp 175.37 32.47 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.566 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.439 ' C ' ' O ' ' A' ' 47' ' ' LEU . 2.1 m-20 37.26 65.55 2.46 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.568 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_endo -67.22 135.16 36.13 Favored 'Trans proline' 0 C--N 1.305 -1.733 0 C-N-CA 122.804 2.336 . . . . 0.0 112.17 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 1.004 ' CG2' ' HD2' ' A' ' 51' ' ' PRO . 14.1 p -137.65 152.15 72.17 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.582 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 1.004 ' HD2' ' CG2' ' A' ' 50' ' ' VAL . 32.9 Cg_endo -67.38 -19.36 49.57 Favored 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 122.761 2.307 . . . . 0.0 112.106 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.587 ' H ' HG21 ' A' ' 50' ' ' VAL . 56.7 tt0 36.05 -84.49 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.6 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.686 ' N ' ' O ' ' A' ' 51' ' ' PRO . 98.0 m-20 -139.02 166.2 25.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.621 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.58 ' N ' ' OG ' ' A' ' 4' ' ' SER . . . -83.26 -3.1 57.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.627 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 91.2 p -59.17 -39.58 82.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.551 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 17.9 p -81.72 -33.78 30.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.604 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 64.1 mmtt -50.27 -54.84 18.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.565 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 30.8 ttpt -59.84 -47.84 84.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.599 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.9 -26.35 68.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.548 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.5 t -71.28 -35.37 71.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.597 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -63.82 -31.74 73.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.616 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 95.4 m -64.3 -37.88 89.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.569 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.461 ' CD1' ' N ' ' A' ' 63' ' ' LEU . 8.3 mp -75.24 -24.57 57.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.645 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -84.33 -36.67 22.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.502 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.437 ' O ' ' OE2' ' A' ' 69' ' ' GLU . 99.7 mtt180 -68.62 -44.4 74.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.551 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 20.4 tt -76.54 -35.01 25.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.548 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.428 ' O ' ' CB ' ' A' ' 71' ' ' ASP . . . -61.03 -45.43 96.61 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -62.72 -34.26 76.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.717 0.294 . . . . 0.0 110.558 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.541 ' OE1' ' N ' ' A' ' 69' ' ' GLU . 0.3 OUTLIER -79.74 -58.48 3.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.487 -179.93 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.21 -43.05 74.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.518 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.428 ' CB ' ' O ' ' A' ' 67' ' ' GLY . 53.0 t0 -65.05 -8.69 17.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.589 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.7 t -96.45 7.06 47.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.567 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -92.97 111.5 23.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.54 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 3.9 mmt -68.38 -11.19 59.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.498 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -80.29 -67.34 0.78 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.553 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 7.1 tp -59.85 -40.25 87.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.608 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.579 HE22 ' NZ ' ' A' ' 119' ' ' LYS . 20.5 mm100 -61.73 -38.05 86.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.532 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 72.3 ttt180 -68.4 -44.98 73.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.573 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 74.1 mtp -54.53 -43.95 72.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.549 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.515 ' O ' HG12 ' A' ' 83' ' ' VAL . 86.0 mt -62.31 -23.74 32.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.627 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -85.94 -18.71 31.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.55 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -86.45 -15.56 39.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.53 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.619 ' O ' ' CG1' ' A' ' 83' ' ' VAL . 7.6 p -89.38 83.05 2.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.63 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 53.8 p-10 -41.52 161.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.427 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 75.4 p -119.05 121.13 39.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.581 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -149.89 0.06 0.46 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.426 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.4 ' O ' HG11 ' A' ' 91' ' ' VAL . 35.4 t -175.88 85.63 0.29 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.477 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.51 ' O ' ' CB ' ' A' ' 92' ' ' PHE . 29.5 Cg_endo -66.14 -16.55 52.48 Favored 'Trans proline' 0 C--N 1.305 -1.727 0 C-N-CA 122.793 2.329 . . . . 0.0 112.07 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 34.4 ptt-85 -84.61 -36.74 21.83 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.464 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -76.68 -58.98 2.97 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.511 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.49 ' CG1' ' N ' ' A' ' 92' ' ' PHE . 10.3 p -55.79 -52.1 52.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.565 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.51 ' CB ' ' O ' ' A' ' 88' ' ' PRO . 85.2 t80 -45.38 -52.99 9.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.478 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -67.15 -30.85 70.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.509 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 16.1 tpp180 -71.1 -58.18 3.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.556 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.449 ' CG2' ' N ' ' A' ' 96' ' ' ALA . 27.9 m -59.17 -48.18 87.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.575 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.449 ' N ' ' CG2' ' A' ' 95' ' ' VAL . . . -54.92 -27.73 45.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.51 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -81.95 -38.86 24.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.558 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 99' ' ' MET . 99.8 m-20 -63.14 -38.65 92.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.572 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' MET . . . . . 0.488 ' HB2' HH21 ' A' ' 109' ' ' ARG . 64.1 mtt -38.24 -69.07 0.13 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.522 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.608 ' CD2' ' O ' ' A' ' 100' ' ' PHE . 17.3 p90 -111.2 57.67 0.62 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.585 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.3 t -74.74 -26.85 60.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.626 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . 0.552 ' O ' ' C ' ' A' ' 103' ' ' GLY . 55.3 p-10 -155.6 -18.27 0.11 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.547 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.552 ' C ' ' O ' ' A' ' 102' ' ' ASP . . . -26.41 -80.68 0.01 OUTLIER Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . 0.607 ' O ' ' CG ' ' A' ' 105' ' ' PHE . 8.3 m-20 174.55 34.35 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.831 0.348 . . . . 0.0 110.584 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.607 ' CG ' ' O ' ' A' ' 104' ' ' ASN . 27.8 p90 42.61 29.15 0.15 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.574 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.552 ' CG ' ' H ' ' A' ' 107' ' ' TRP . 28.7 p30 -52.11 -110.47 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.54 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' TRP . . . . . 0.552 ' H ' ' CG ' ' A' ' 106' ' ' ASN . 6.5 t90 174.57 -26.19 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.522 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . 0.441 ' O ' HG13 ' A' ' 111' ' ' VAL . . . -50.18 -42.02 39.92 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . 0.488 HH21 ' HB2' ' A' ' 99' ' ' MET . 0.0 OUTLIER -48.16 -26.01 1.72 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.808 0.337 . . . . 0.0 110.534 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.474 ' N ' ' HD3' ' A' ' 109' ' ' ARG . 33.8 t -52.67 -57.9 3.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.53 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.552 ' CG1' ' N ' ' A' ' 112' ' ' ALA . 4.7 p -45.25 -46.83 3.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.54 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.552 ' N ' ' CG1' ' A' ' 111' ' ' VAL . . . -58.12 -34.93 70.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.534 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 1.9 tt -56.97 -46.62 82.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.558 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.44 ' CZ ' ' CG1' ' A' ' 110' ' ' VAL . 10.2 m-85 -57.41 -43.96 84.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.484 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 88.1 t80 -68.18 -43.39 78.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.528 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 92.5 t80 -59.12 -41.88 89.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.559 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -71.09 -32.42 69.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.525 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 4.9 t -48.72 -44.03 37.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.534 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.819 ' O ' ' CB ' ' A' ' 123' ' ' LYS . 60.3 mmtt -60.25 -43.51 96.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.54 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 52.6 mt -68.26 -30.69 69.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.523 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.404 ' O ' ' CD1' ' A' ' 133' ' ' ILE . 49.0 t -77.59 -53.54 14.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.538 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 69.3 mt -72.99 -40.69 65.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.558 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.819 ' CB ' ' O ' ' A' ' 119' ' ' LYS . 65.3 tttm -58.19 -40.93 82.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.595 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.456 ' O ' ' OG1' ' A' ' 127' ' ' THR . . . -76.28 -20.43 57.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.575 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 40.6 tp -64.62 -30.37 71.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.548 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . 0.499 ' SG ' ' N ' ' A' ' 127' ' ' THR . 6.3 p -84.71 -35.73 22.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.547 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' THR . . . . . 0.556 ' O ' ' CB ' ' A' ' 128' ' ' LYS . 40.3 p -54.64 -17.11 2.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.487 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.556 ' CB ' ' O ' ' A' ' 127' ' ' THR . 73.7 tttt 85.07 47.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.57 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . 0.535 ' CG2' ' OG1' ' A' ' 127' ' ' THR . 0.2 OUTLIER -148.8 85.97 5.91 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.53 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo -68.22 -15.73 43.11 Favored 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 122.85 2.366 . . . . 0.0 112.021 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -63.38 -42.49 98.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.469 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 8.6 mp -59.67 -34.23 72.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.492 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . 0.404 ' CD1' ' O ' ' A' ' 121' ' ' VAL . 21.2 mm -56.88 -50.23 76.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.518 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 -69.07 -34.9 75.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.483 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 8.2 m -67.14 -31.96 72.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.504 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 46.4 mt -69.68 -58.88 4.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.545 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 84.0 mtp -46.4 -25.65 0.69 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.532 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -68.57 -40.47 86.12 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' TRP . . . . . 0.512 ' CD1' ' N ' ' A' ' 139' ' ' TRP . 12.9 m0 -66.31 -24.5 66.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.844 0.355 . . . . 0.0 110.563 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' THR . . . . . 0.499 ' OG1' ' N ' ' A' ' 141' ' ' LEU . 16.1 p -75.48 -65.73 0.86 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.568 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . 0.499 ' N ' ' OG1' ' A' ' 140' ' ' THR . 55.1 mt -51.88 -33.64 37.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.513 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -65.75 -50.98 62.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.58 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . 0.496 ' O ' ' HB2' ' A' ' 147' ' ' ARG . 37.1 t80 -66.92 -38.84 86.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.549 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.04 -35.54 72.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.555 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 59.0 ttp180 -82.98 -10.68 58.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.561 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -112.07 -4.6 14.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.58 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . 1.154 ' O ' ' N ' ' A' ' 149' ' ' LEU . 8.0 mtp180 -142.18 -110.89 0.13 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.64 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . 0.698 ' O ' ' N ' ' A' ' 152' ' ' ILE . 1.0 OUTLIER -15.35 -27.75 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.542 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . 1.154 ' N ' ' O ' ' A' ' 147' ' ' ARG . 40.2 tp -49.2 -56.3 9.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.529 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -63.83 -50.63 59.82 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 151' ' ' TRP . . . . . . . . . . . . . 99.5 m95 -66.24 -55.91 13.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.819 0.342 . . . . 0.0 110.578 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 152' ' ' ILE . . . . . 0.698 ' N ' ' O ' ' A' ' 148' ' ' LEU . 9.1 tt -51.28 -34.29 14.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.494 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 56.8 tt0 -67.53 -31.12 71.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.537 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -89.23 -4.57 58.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.57 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -97.49 0.74 48.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.58 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 83.75 24.57 49.21 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 89.9 -160.4 28.61 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 158' ' ' TRP . . . . . 0.472 ' HE1' HG23 ' A' ' 19' ' ' ILE . 58.5 m95 -73.87 -5.65 42.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.76 0.314 . . . . 0.0 110.52 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -60.88 -42.5 98.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.544 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -54.49 -31.99 52.35 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 2.0 tt -63.04 -53.97 45.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.847 0.356 . . . . 0.0 110.546 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 52.3 tp -67.26 -30.96 70.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.487 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 21.3 t -66.99 -25.91 66.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.602 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 164' ' ' TYR . . . . . 0.419 ' C ' ' H ' ' A' ' 166' ' ' GLY . 91.8 t80 -77.05 -42.45 38.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.627 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -71.65 48.28 0.15 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.502 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 166' ' ' GLY . . . . . 0.419 ' H ' ' C ' ' A' ' 164' ' ' TYR . . . -131.53 39.61 1.75 Allowed Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 167' ' ' THR . . . . . 0.97 ' OG1' ' HD2' ' A' ' 168' ' ' PRO . 0.6 OUTLIER -108.91 177.88 1.16 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 120.86 0.362 . . . . 0.0 110.602 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 168' ' ' PRO . . . . . 0.97 ' HD2' ' OG1' ' A' ' 167' ' ' THR . 38.6 Cg_endo -70.31 -145.08 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.738 0 C-N-CA 122.815 2.343 . . . . 0.0 112.066 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 169' ' ' THR . . . . . 0.58 ' C ' ' O ' ' A' ' 168' ' ' PRO . 19.1 p -24.47 103.0 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.57 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 170' ' ' TRP . . . . . 0.621 ' O ' HG23 ' A' ' 173' ' ' VAL . 33.5 p90 -65.88 -18.45 65.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.594 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 171' ' ' GLN . . . . . 0.528 ' NE2' ' OG1' ' A' ' 172' ' ' THR . 5.4 pp0? -47.2 -14.41 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.498 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 172' ' ' THR . . . . . 0.528 ' OG1' ' NE2' ' A' ' 171' ' ' GLN . 4.9 m -86.64 -29.5 22.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.595 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 173' ' ' VAL . . . . . 0.621 HG23 ' O ' ' A' ' 170' ' ' TRP . 2.0 m -72.12 -45.66 61.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.58 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 174' ' ' THR . . . . . 0.564 ' N ' ' CG2' ' A' ' 173' ' ' VAL . 25.1 m -64.59 -24.89 67.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.578 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 175' ' ' ILE . . . . . 0.417 ' O ' ' CG2' ' A' ' 175' ' ' ILE . 89.3 mt -85.84 -7.41 10.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.537 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 176' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -94.72 -60.02 1.79 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.549 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 3.2 m -62.13 -16.7 16.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.532 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 178' ' ' ALA . . . . . 0.637 ' O ' ' OG1' ' A' ' 182' ' ' THR . . . -95.58 -45.9 6.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.546 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -62.34 -26.09 67.53 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 180' ' ' VAL . . . . . 0.52 ' CG1' ' N ' ' A' ' 181' ' ' LEU . 13.6 p -86.24 -51.79 12.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.756 0.312 . . . . 0.0 110.554 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . 0.52 ' N ' ' CG1' ' A' ' 180' ' ' VAL . 43.4 tp -69.27 -47.95 63.14 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.598 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 182' ' ' THR . . . . . 0.637 ' OG1' ' O ' ' A' ' 178' ' ' ALA . 25.3 m -50.55 -51.31 49.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.592 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -47.39 -45.74 25.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.58 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 184' ' ' SER . . . . . . . . . . . . . 27.8 t -54.38 -37.9 65.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.617 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 62.9 mt -77.62 -21.66 51.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.589 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 21.7 m -73.31 -44.82 58.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.598 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 187' ' ' ILE . . . . . 0.508 ' O ' ' C ' ' A' ' 188' ' ' TRP . 12.3 tt -73.67 -51.66 24.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.605 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 188' ' ' TRP . . . . . 0.508 ' C ' ' O ' ' A' ' 187' ' ' ILE . 0.1 OUTLIER -30.67 -56.99 0.21 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.619 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 8.2 mmtt -175.72 128.37 0.24 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.543 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 190' ' ' LYS . . . . . . . . . . . . . 14.7 ptmt -109.97 89.52 3.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.539 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 191' ' ' MET . . . . . . . . . . . . . 84.6 mtp -128.58 136.61 50.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.524 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.707 0 CA-C-O 117.987 -1.452 . . . . 0.0 110.926 179.972 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 130' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 131' ' ' GLU . . . . . 0.664 ' O ' ' CB ' ' B' ' 132' ' ' ALA . 90.8 mt-10 -53.6 -94.74 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.48 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 132' ' ' ALA . . . . . 0.664 ' CB ' ' O ' ' B' ' 131' ' ' GLU . . . 94.38 -72.58 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.569 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 10.9 mp -55.61 -48.7 74.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.491 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 134' ' ' LYS . . . . . . . . . . . . . 15.1 tptp 45.45 37.56 3.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.569 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 135' ' ' LYS . . . . . . . . . . . . . 13.7 mtpp -63.06 -43.75 97.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.61 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 136' ' ' ALA . . . . . . . . . . . . . . . -74.99 89.75 2.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.56 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 137' ' ' LEU . . . . . 0.581 ' C ' ' H ' ' B' ' 139' ' ' ARG . 3.6 tt -145.58 114.08 6.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.548 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 138' ' ' ARG . . . . . 0.448 ' O ' ' HB2' ' B' ' 142' ' ' PHE . 37.4 ttm180 69.48 -35.02 0.3 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.559 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 139' ' ' ARG . . . . . 0.581 ' H ' ' C ' ' B' ' 137' ' ' LEU . 15.7 tpp180 -59.38 -46.06 89.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.528 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 140' ' ' HIS . . . . . 0.789 ' O ' ' N ' ' B' ' 143' ' ' LEU . 73.1 m80 -77.59 -69.33 0.55 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.577 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 141' ' ' ARG . . . . . 0.488 ' C ' ' O ' ' B' ' 140' ' ' HIS . 34.8 ttm180 -30.82 -31.37 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.541 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 142' ' ' PHE . . . . . 0.653 ' N ' ' O ' ' B' ' 140' ' ' HIS . 19.3 m-85 -93.24 -28.04 16.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.538 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 143' ' ' LEU . . . . . 0.789 ' N ' ' O ' ' B' ' 140' ' ' HIS . 42.4 tp -60.89 -33.29 72.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.52 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 144' ' ' TRP . . . . . 0.47 ' O ' ' C ' ' B' ' 145' ' ' GLN . 73.3 t-105 -87.32 -54.78 4.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.53 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 145' ' ' GLN . . . . . 0.47 ' C ' ' O ' ' B' ' 144' ' ' TRP . 56.2 tt0 -34.05 -68.33 0.11 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.627 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 146' ' ' ARG . . . . . 0.704 ' O ' ' N ' ' B' ' 148' ' ' GLN . 35.6 ttm180 43.46 64.88 1.1 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.56 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 147' ' ' ARG . . . . . . . . . . . . . 78.9 ttt-85 41.7 -81.36 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.617 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 148' ' ' GLN . . . . . 0.704 ' N ' ' O ' ' B' ' 146' ' ' ARG . 16.7 pt20 -85.94 137.34 32.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.656 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 10.0 ptp85 -61.71 -14.74 34.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.519 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 150' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 118.033 -0.985 . . . . 0.0 110.563 179.995 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.0 ptt? . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.668 ' OD1' ' N ' ' A' ' 3' ' ' GLY . 41.3 p-10 -63.02 -57.58 10.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.602 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.668 ' N ' ' OD1' ' A' ' 2' ' ' ASP . . . 79.92 -53.39 4.34 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 69.9 m -137.46 -28.97 0.89 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.826 0.346 . . . . 0.0 110.509 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 146.15 170.17 14.6 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 1.038 ' O ' ' HB3' ' A' ' 7' ' ' GLN . 5.0 tp10 -122.01 110.57 15.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.787 0.327 . . . . 0.0 110.407 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 1.038 ' HB3' ' O ' ' A' ' 6' ' ' GLU . 11.1 tt0 102.27 31.28 0.0 OUTLIER Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.281 -179.789 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.815 ' CD ' ' N ' ' A' ' 7' ' ' GLN . 48.6 Cg_endo -72.25 120.51 6.83 Favored 'Trans proline' 0 C--N 1.305 -1.724 0 C-N-CA 122.93 2.42 . . . . 0.0 112.112 -179.853 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 53.0 mtp180 -104.36 130.84 52.2 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.549 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.732 ' C ' ' H ' ' A' ' 12' ' ' GLY . . . -158.27 128.52 2.1 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -58.07 11.73 0.02 OUTLIER Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.732 ' H ' ' C ' ' A' ' 10' ' ' GLY . . . -106.78 100.14 1.55 Allowed Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.645 ' O ' ' N ' ' A' ' 15' ' ' SER . 65.3 Cg_exo -45.76 -72.33 0.05 OUTLIER 'Trans proline' 0 C--N 1.305 -1.752 0 C-N-CA 122.76 2.307 . . . . 0.0 112.064 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.539 ' C ' ' O ' ' A' ' 13' ' ' PRO . 29.7 p -27.16 86.85 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.55 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 1.156 ' O ' HD11 ' A' ' 19' ' ' ILE . 4.2 p -136.57 -157.33 0.77 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.517 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.418 ' H ' ' HB2' ' A' ' 15' ' ' SER . 45.9 m -96.3 -10.95 26.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.578 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -88.43 -49.56 6.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.588 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -65.78 -23.69 66.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.582 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 1.156 HD11 ' O ' ' A' ' 15' ' ' SER . 84.6 mt -81.35 -54.79 9.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.625 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.451 ' SD ' ' C ' ' A' ' 20' ' ' MET . 13.4 tmm? -53.58 -36.61 62.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.614 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.3 tppt? -67.19 -46.37 74.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.586 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 40.5 m -72.05 -8.07 52.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.557 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -79.45 -53.93 4.19 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.44 -9.25 59.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.818 0.342 . . . . 0.0 110.491 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.553 ' O ' ' C ' ' A' ' 26' ' ' LEU . 6.6 tt -86.63 -80.92 0.23 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.538 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.553 ' C ' ' O ' ' A' ' 25' ' ' LEU . 48.6 tp -26.57 -66.07 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.567 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.426 ' O ' HG13 ' A' ' 31' ' ' ILE . 5.7 tp -51.04 -57.99 7.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.618 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 9.5 tm0? -47.35 -17.9 0.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.544 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.542 ' O ' ' N ' ' A' ' 31' ' ' ILE . . . -88.83 -72.87 1.28 Allowed Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.876 -0.889 . . . . 0.0 110.876 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -42.08 -18.8 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.795 0.331 . . . . 0.0 110.573 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.542 ' N ' ' O ' ' A' ' 29' ' ' GLY . 96.9 mt -77.04 -69.15 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.609 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.411 ' CD ' ' O ' ' A' ' 32' ' ' GLN . 4.9 pp0? -78.88 29.95 0.2 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.584 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.449 ' H ' ' C ' ' A' ' 31' ' ' ILE . 65.3 t0 -112.89 -51.11 2.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.554 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -91.23 -27.03 18.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.548 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.546 ' O ' ' N ' ' A' ' 37' ' ' ARG . . . -99.0 -13.14 20.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.598 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 35' ' ' ALA . . . -38.5 90.95 0.01 OUTLIER Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.546 ' N ' ' O ' ' A' ' 35' ' ' ALA . 75.4 ttt180 -68.61 -40.44 80.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.754 0.311 . . . . 0.0 110.532 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 94.8 mtp 52.69 43.0 31.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.629 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -85.57 -161.16 34.31 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -64.15 -47.61 83.46 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -66.59 150.59 48.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.889 0.376 . . . . 0.0 110.568 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.53 152.47 92.38 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.574 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -49.59 147.33 13.32 Favored 'Trans proline' 0 C--N 1.306 -1.703 0 C-N-CA 122.806 2.337 . . . . 0.0 112.115 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.422 ' OE1' ' N ' ' A' ' 44' ' ' GLU . 54.4 mp0 -94.1 -11.78 29.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.606 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.624 HD21 ' O ' ' A' ' 45' ' ' LEU . 0.7 OUTLIER -98.31 61.7 1.45 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.58 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.43 ' O ' ' HB2' ' A' ' 47' ' ' LEU . . . -70.32 138.08 51.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.578 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.476 ' O ' ' C ' ' A' ' 48' ' ' ASP . 22.6 tp 177.31 75.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.556 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.476 ' C ' ' O ' ' A' ' 47' ' ' LEU . 15.5 m-20 34.34 78.25 0.34 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.501 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_endo -64.53 101.96 0.39 Allowed 'Trans proline' 0 C--N 1.305 -1.738 0 C-N-CA 122.819 2.346 . . . . 0.0 112.043 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.63 HG22 ' O ' ' A' ' 50' ' ' VAL . 7.7 p -169.77 53.1 0.21 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.478 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.53 ' O ' ' HG3' ' A' ' 52' ' ' GLN . 76.3 Cg_exo -44.17 153.13 0.34 Allowed 'Trans proline' 0 C--N 1.304 -1.767 0 C-N-CA 122.849 2.366 . . . . 0.0 112.148 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.53 ' HG3' ' O ' ' A' ' 51' ' ' PRO . 75.2 mt-30 -159.8 166.31 30.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.522 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.411 ' O ' ' O ' ' A' ' 52' ' ' GLN . 95.9 m-20 60.95 128.32 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.638 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -82.61 -0.66 48.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.574 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 40.9 t -60.68 -39.41 88.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.561 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 27.7 p -82.78 -33.79 27.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.577 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 56.6 tttp -49.9 -54.98 16.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.572 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 6.0 tppt? -59.61 -48.16 82.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.63 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.57 -26.25 67.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.608 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.6 t -71.41 -35.36 70.97 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.6 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -63.94 -31.66 72.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.629 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 93.8 m -64.28 -37.81 88.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.595 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.425 ' CD1' ' N ' ' A' ' 63' ' ' LEU . 9.0 mp -75.33 -24.62 57.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.552 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 63.2 tttp -84.27 -36.67 22.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.585 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.453 ' O ' ' OE1' ' A' ' 69' ' ' GLU . 95.0 mtt180 -68.53 -44.42 74.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.57 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 18.9 tt -76.5 -35.12 25.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.545 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.424 ' O ' ' CB ' ' A' ' 71' ' ' ASP . . . -60.93 -45.41 96.61 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.444 ' OD1' ' O ' ' A' ' 68' ' ' ASP . 68.2 t0 -62.73 -34.36 77.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.792 0.329 . . . . 0.0 110.592 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.543 ' OE1' ' N ' ' A' ' 69' ' ' GLU . 3.0 mp0 -79.57 -58.55 3.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.567 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 2.1 mt -55.1 -43.07 73.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.632 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.424 ' CB ' ' O ' ' A' ' 67' ' ' GLY . 38.9 t70 -65.03 -8.73 17.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.58 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.4 t -96.45 7.07 47.41 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.532 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -93.0 111.54 23.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.617 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 97.8 mmm -68.44 -11.09 59.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.523 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -80.43 -67.21 0.79 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.558 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 49.5 tp -59.87 -40.26 88.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.576 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 11.1 tm0? -61.74 -37.97 86.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.613 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 71.7 ttt180 -68.44 -44.94 73.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.582 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 74.3 mtp -54.59 -43.93 72.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.525 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.514 ' O ' HG12 ' A' ' 83' ' ' VAL . 84.6 mt -62.34 -23.73 32.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.648 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -85.97 -18.77 31.69 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.572 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -86.44 -15.23 40.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.63 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.614 ' O ' ' CG1' ' A' ' 83' ' ' VAL . 7.9 p -89.64 82.76 2.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.62 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.404 ' O ' ' O ' ' A' ' 83' ' ' VAL . 53.9 p-10 -40.97 162.09 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.607 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 70.0 p -119.26 120.5 37.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.598 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -149.3 -0.18 0.49 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.537 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.416 ' O ' HG11 ' A' ' 91' ' ' VAL . 44.5 t -175.68 86.86 0.29 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.512 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.574 ' O ' ' HB2' ' A' ' 92' ' ' PHE . 33.3 Cg_endo -67.38 -16.23 47.37 Favored 'Trans proline' 0 C--N 1.305 -1.734 0 C-N-CA 122.782 2.321 . . . . 0.0 112.028 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 21.0 ptt180 -85.53 -35.33 21.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.449 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -77.91 -57.88 3.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.5 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.475 ' CG1' ' N ' ' A' ' 92' ' ' PHE . 10.0 p -57.3 -51.24 71.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.509 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.574 ' HB2' ' O ' ' A' ' 88' ' ' PRO . 26.3 t80 -45.93 -52.52 11.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.55 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -67.62 -30.66 70.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.516 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 16.2 tpp180 -71.18 -58.12 3.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.541 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.446 ' CG2' ' N ' ' A' ' 96' ' ' ALA . 27.2 m -59.29 -48.04 88.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.564 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.446 ' N ' ' CG2' ' A' ' 95' ' ' VAL . . . -54.99 -27.8 46.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.562 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -81.79 -38.93 24.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.575 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.41 ' O ' ' C ' ' A' ' 99' ' ' MET . 99.2 m-20 -63.22 -38.74 92.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.447 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' MET . . . . . 0.41 ' C ' ' O ' ' A' ' 98' ' ' ASP . 64.8 mtt -38.37 -68.84 0.14 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.527 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.579 ' CE1' ' NH2' ' A' ' 109' ' ' ARG . 14.3 p90 -111.3 57.53 0.63 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.598 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.1 t -74.65 -26.84 60.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.585 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . 0.538 ' O ' ' C ' ' A' ' 103' ' ' GLY . 54.9 p-10 -155.58 -18.38 0.11 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.589 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.538 ' C ' ' O ' ' A' ' 102' ' ' ASP . . . -26.34 -80.71 0.01 OUTLIER Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . 0.608 ' O ' ' CG ' ' A' ' 105' ' ' PHE . 9.3 m-20 174.5 34.37 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.791 0.329 . . . . 0.0 110.604 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.608 ' CG ' ' O ' ' A' ' 104' ' ' ASN . 32.3 p90 42.62 29.23 0.15 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.509 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.536 ' CG ' ' H ' ' A' ' 107' ' ' TRP . 27.8 p30 -52.23 -110.41 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.606 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' TRP . . . . . 0.536 ' H ' ' CG ' ' A' ' 106' ' ' ASN . 6.8 t90 174.58 -26.19 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.543 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . 0.44 ' O ' HG13 ' A' ' 111' ' ' VAL . . . -50.01 -42.34 39.05 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . 0.579 ' NH2' ' CE1' ' A' ' 100' ' ' PHE . 0.0 OUTLIER -48.01 -26.09 1.65 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.888 0.375 . . . . 0.0 110.607 -179.946 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.453 HG23 ' NE1' ' A' ' 107' ' ' TRP . 29.1 t -52.49 -57.96 3.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.539 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.559 ' CG1' ' N ' ' A' ' 112' ' ' ALA . 4.8 p -45.31 -46.75 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.509 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.559 ' N ' ' CG1' ' A' ' 111' ' ' VAL . . . -58.23 -34.71 70.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.56 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.0 tt -57.07 -46.8 82.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.576 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -57.32 -44.04 83.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.46 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 91.9 t80 -67.87 -43.58 79.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.577 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 91.8 t80 -59.14 -41.76 89.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.564 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -71.05 -32.52 69.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.529 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 4.9 t -48.62 -44.19 37.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.581 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.812 ' O ' ' CB ' ' A' ' 123' ' ' LYS . 55.0 mmtt -59.95 -43.58 94.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.616 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 50.8 mt -68.23 -31.01 70.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.512 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.409 ' O ' ' CD1' ' A' ' 133' ' ' ILE . 48.9 t -77.45 -53.42 14.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.488 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 70.5 mt -72.76 -41.1 65.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.567 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.812 ' CB ' ' O ' ' A' ' 119' ' ' LYS . 46.1 tptt -58.06 -41.4 83.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.521 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.502 ' O ' ' OG1' ' A' ' 127' ' ' THR . . . -75.26 -21.78 58.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.499 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 49.0 tp -63.4 -32.09 73.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.56 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . 0.588 ' SG ' ' O ' ' A' ' 123' ' ' LYS . 0.1 OUTLIER -83.37 -35.58 25.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.594 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' THR . . . . . 0.757 ' O ' ' HB2' ' A' ' 128' ' ' LYS . 45.4 p -53.72 -19.42 4.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.533 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.757 ' HB2' ' O ' ' A' ' 127' ' ' THR . 51.8 mttp 87.72 45.37 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.538 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . 0.558 ' CG2' ' OG1' ' A' ' 127' ' ' THR . 0.0 OUTLIER -148.22 87.92 5.58 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.511 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -69.81 -14.6 36.15 Favored 'Trans proline' 0 C--N 1.306 -1.707 0 C-N-CA 122.719 2.279 . . . . 0.0 112.043 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -64.17 -41.77 96.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.421 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 8.5 mp -60.42 -34.37 73.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.447 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . 0.422 HD13 HG23 ' A' ' 133' ' ' ILE . 21.9 mm -56.63 -50.21 74.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.55 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 84.2 mtp180 -69.09 -34.89 75.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.522 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 7.9 m -67.15 -32.01 72.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.449 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 46.8 mt -69.78 -58.87 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.465 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' MET . . . . . 0.429 ' O ' ' OG1' ' A' ' 140' ' ' THR . 42.1 ttm -46.45 -25.41 0.66 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.534 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -68.75 -40.43 85.3 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' TRP . . . . . 0.505 ' CD1' ' N ' ' A' ' 139' ' ' TRP . 12.7 m0 -66.37 -24.45 66.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.813 0.339 . . . . 0.0 110.531 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' THR . . . . . 0.469 ' OG1' ' N ' ' A' ' 141' ' ' LEU . 23.2 p -75.53 -65.84 0.85 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.56 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . 0.469 ' N ' ' OG1' ' A' ' 140' ' ' THR . 52.5 mt -51.74 -33.64 35.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.594 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -65.69 -51.05 62.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.607 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -66.8 -38.85 87.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.57 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 2.0 tp -71.18 -35.43 71.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.552 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 58.9 ttp180 -82.98 -10.69 58.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.561 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -112.07 -4.63 14.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.548 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . 1.153 ' O ' ' N ' ' A' ' 149' ' ' LEU . 42.7 mtp180 -142.14 -110.8 0.13 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.535 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . 0.695 ' O ' ' N ' ' A' ' 152' ' ' ILE . 1.0 OUTLIER -15.52 -27.68 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.602 -179.953 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . 1.153 ' N ' ' O ' ' A' ' 147' ' ' ARG . 47.1 tp -49.03 -56.4 9.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.565 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -63.8 -50.75 59.1 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 151' ' ' TRP . . . . . . . . . . . . . 59.7 m95 -66.2 -55.85 14.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.758 0.313 . . . . 0.0 110.548 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 152' ' ' ILE . . . . . 0.695 ' N ' ' O ' ' A' ' 148' ' ' LEU . 10.7 tt -51.37 -34.27 14.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.564 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 46.2 tt0 -67.51 -31.16 71.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.609 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -89.2 -4.44 58.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.538 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -97.57 0.83 48.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.586 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 83.67 24.72 49.01 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 89.82 -160.32 28.65 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . 53.8 m95 -73.98 -5.64 42.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.795 0.331 . . . . 0.0 110.569 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -60.88 -42.5 98.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.532 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -54.39 -32.16 51.83 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 2.6 tt -63.02 -53.94 46.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.804 0.335 . . . . 0.0 110.587 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 56.6 tp -67.09 -31.07 71.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.575 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 5.1 t -66.87 -26.2 66.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.496 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 164' ' ' TYR . . . . . 0.422 ' C ' ' H ' ' A' ' 166' ' ' GLY . 89.9 t80 -76.7 -42.65 40.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.589 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -71.63 48.05 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.559 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 166' ' ' GLY . . . . . 0.422 ' H ' ' C ' ' A' ' 164' ' ' TYR . . . -130.96 39.03 1.84 Allowed Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 167' ' ' THR . . . . . 1.007 ' OG1' ' HD2' ' A' ' 168' ' ' PRO . 0.5 OUTLIER -108.39 179.24 0.89 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 120.899 0.38 . . . . 0.0 110.521 -179.938 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 168' ' ' PRO . . . . . 1.007 ' HD2' ' OG1' ' A' ' 167' ' ' THR . 46.5 Cg_endo -72.29 -145.73 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.719 0 C-N-CA 122.781 2.32 . . . . 0.0 112.054 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 169' ' ' THR . . . . . 0.588 ' C ' ' O ' ' A' ' 168' ' ' PRO . 25.7 p -23.38 101.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.605 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 170' ' ' TRP . . . . . 0.614 ' O ' HG23 ' A' ' 173' ' ' VAL . 29.0 p90 -64.9 -18.78 65.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.596 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 171' ' ' GLN . . . . . 0.54 ' NE2' ' OG1' ' A' ' 172' ' ' THR . 5.4 pp0? -46.83 -14.11 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.582 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 172' ' ' THR . . . . . 0.54 ' OG1' ' NE2' ' A' ' 171' ' ' GLN . 97.9 m -87.03 -29.62 21.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.617 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 173' ' ' VAL . . . . . 0.614 HG23 ' O ' ' A' ' 170' ' ' TRP . 2.0 m -72.07 -45.61 62.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.567 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 174' ' ' THR . . . . . 0.567 ' N ' ' CG2' ' A' ' 173' ' ' VAL . 24.4 m -64.57 -24.91 67.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.576 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 175' ' ' ILE . . . . . 0.43 HG23 ' O ' ' A' ' 172' ' ' THR . 1.8 tt -85.8 -7.42 10.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.536 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 176' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -94.68 -60.13 1.77 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.568 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 3.3 m -62.05 -16.73 16.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.576 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 178' ' ' ALA . . . . . 0.628 ' O ' ' OG1' ' A' ' 182' ' ' THR . . . -95.55 -45.9 6.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.614 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -62.39 -26.06 67.57 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 180' ' ' VAL . . . . . 0.519 ' CG1' ' N ' ' A' ' 181' ' ' LEU . 13.9 p -86.31 -51.73 12.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.811 0.338 . . . . 0.0 110.556 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . 0.519 ' N ' ' CG1' ' A' ' 180' ' ' VAL . 43.1 tp -69.32 -47.94 62.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.569 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 182' ' ' THR . . . . . 0.628 ' OG1' ' O ' ' A' ' 178' ' ' ALA . 26.1 m -50.58 -51.33 49.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.572 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -47.38 -45.72 25.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.574 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 184' ' ' SER . . . . . . . . . . . . . 27.5 t -54.4 -37.85 65.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.644 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 64.5 mt -77.7 -21.69 51.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.527 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 21.3 m -73.26 -44.86 58.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.567 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 187' ' ' ILE . . . . . 0.502 ' O ' ' C ' ' A' ' 188' ' ' TRP . 12.5 tt -73.63 -51.7 23.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.572 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 188' ' ' TRP . . . . . 0.502 ' C ' ' O ' ' A' ' 187' ' ' ILE . 0.2 OUTLIER -30.74 -56.99 0.21 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.472 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 8.0 mmtt -175.72 128.28 0.24 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.551 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 190' ' ' LYS . . . . . . . . . . . . . 14.5 ptmt -109.87 89.61 3.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.598 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 191' ' ' MET . . . . . . . . . . . . . 84.1 mtp -128.71 136.58 50.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.547 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.813 0 CA-C-O 118.007 -1.441 . . . . 0.0 110.922 -179.969 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 130' ' ' CYS . . . . . . . . . . . . . 13.3 p . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 131' ' ' GLU . . . . . 0.797 ' O ' ' N ' ' B' ' 133' ' ' LEU . 55.8 mm-40 -66.76 167.45 11.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.534 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 132' ' ' ALA . . . . . 0.546 ' C ' ' O ' ' B' ' 131' ' ' GLU . . . 27.46 28.33 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.583 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 133' ' ' LEU . . . . . 0.797 ' N ' ' O ' ' B' ' 131' ' ' GLU . 5.3 tp 53.17 -127.1 2.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.573 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 134' ' ' LYS . . . . . . . . . . . . . 69.1 mmtt -99.12 -4.61 31.86 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.59 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 135' ' ' LYS . . . . . . . . . . . . . 62.8 mttp -69.1 -45.58 69.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.52 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 136' ' ' ALA . . . . . . . . . . . . . . . 70.03 -147.6 0.09 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.493 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 137' ' ' LEU . . . . . 0.448 ' CD1' ' N ' ' B' ' 137' ' ' LEU . 10.2 mp -86.95 123.49 32.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.572 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 138' ' ' ARG . . . . . . . . . . . . . 87.4 mtm180 -93.52 -8.81 40.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.538 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 139' ' ' ARG . . . . . . . . . . . . . 58.2 ttm-85 -59.34 -44.35 92.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.575 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 140' ' ' HIS . . . . . 0.701 ' O ' ' N ' ' B' ' 143' ' ' LEU . 1.8 m-70 -80.64 -66.09 0.93 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.563 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 141' ' ' ARG . . . . . 0.497 ' C ' ' O ' ' B' ' 140' ' ' HIS . 58.2 ttp180 -32.32 -32.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.48 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 142' ' ' PHE . . . . . 0.595 ' N ' ' O ' ' B' ' 140' ' ' HIS . 52.9 t80 -91.84 -31.73 15.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.572 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 143' ' ' LEU . . . . . 0.701 ' N ' ' O ' ' B' ' 140' ' ' HIS . 33.2 tp -56.11 -34.86 66.46 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.533 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 144' ' ' TRP . . . . . 0.452 ' O ' ' C ' ' B' ' 145' ' ' GLN . 72.9 t-105 -86.46 -56.28 3.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.512 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 145' ' ' GLN . . . . . 0.528 ' OE1' ' O ' ' B' ' 146' ' ' ARG . 4.2 tm0? -33.85 -68.32 0.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.553 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 146' ' ' ARG . . . . . 0.528 ' O ' ' OE1' ' B' ' 145' ' ' GLN . 19.4 mmm180 40.86 -133.45 0.29 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.557 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 147' ' ' ARG . . . . . . . . . . . . . 88.6 mtm180 42.46 -104.44 0.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.492 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 148' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -83.85 145.08 28.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.575 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 90.6 mtm180 -64.29 137.53 57.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.619 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 150' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.452 0 CA-C-O 117.941 -1.028 . . . . 0.0 110.612 179.949 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.455 ' H2 ' ' H ' ' A' ' 2' ' ' ASP . 10.5 ptt? . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 1.036 ' OD1' ' N ' ' A' ' 3' ' ' GLY . 51.2 p-10 -61.21 -58.55 7.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.633 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 1.036 ' N ' ' OD1' ' A' ' 2' ' ' ASP . . . 80.69 -48.81 3.77 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 58.4 m -119.86 -38.41 2.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.748 0.309 . . . . 0.0 110.56 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 156.7 -169.41 33.99 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.955 ' O ' ' HB3' ' A' ' 7' ' ' GLN . 2.8 tp10 -141.41 103.39 4.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.786 0.327 . . . . 0.0 110.538 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.955 ' HB3' ' O ' ' A' ' 6' ' ' GLU . 7.4 tt0 115.33 28.37 0.0 OUTLIER Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.505 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.867 ' CD ' ' H ' ' A' ' 7' ' ' GLN . 54.3 Cg_endo -73.66 101.95 1.44 Allowed 'Trans proline' 0 C--N 1.305 -1.715 0 C-N-CA 122.838 2.359 . . . . 0.0 112.078 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 18.9 mtp180 -52.3 172.19 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.496 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 1.27 ' O ' ' N ' ' A' ' 12' ' ' GLY . . . -83.39 -23.08 55.32 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.644 ' C ' ' O ' ' A' ' 10' ' ' GLY . . . 6.11 -42.08 0.0 OUTLIER Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.779 -0.928 . . . . 0.0 110.779 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 1.27 ' N ' ' O ' ' A' ' 10' ' ' GLY . . . -154.91 137.43 5.64 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.685 ' O ' ' C ' ' A' ' 14' ' ' THR . 50.4 Cg_exo -47.77 -92.63 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.757 0 C-N-CA 122.842 2.361 . . . . 0.0 112.252 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.685 ' C ' ' O ' ' A' ' 13' ' ' PRO . 57.7 p -1.87 83.31 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.671 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 1.09 ' O ' HD11 ' A' ' 19' ' ' ILE . 3.0 p -118.42 -148.63 0.42 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.391 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.484 ' H ' ' HB2' ' A' ' 15' ' ' SER . 50.6 m -98.69 -17.28 18.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.435 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 64.2 mm-40 -77.67 -48.62 16.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.54 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -67.43 -22.58 65.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.567 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 1.09 HD11 ' O ' ' A' ' 15' ' ' SER . 64.5 mt -81.99 -54.76 9.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.614 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 26.5 ttt -53.88 -36.52 62.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.576 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 38.4 mmtm -67.31 -45.96 74.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.53 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 66.7 p -72.36 -8.35 54.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.585 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -79.17 -54.1 4.21 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.19 -9.35 59.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.836 0.351 . . . . 0.0 110.536 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.547 ' O ' ' C ' ' A' ' 26' ' ' LEU . 31.6 mt -86.71 -80.45 0.24 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.62 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.547 ' C ' ' O ' ' A' ' 25' ' ' LEU . 44.9 tp -27.11 -65.62 0.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.642 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.415 ' C ' ' N ' ' A' ' 29' ' ' GLY . 64.0 mt -51.32 -57.7 8.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.617 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.408 ' O ' ' NE2' ' A' ' 28' ' ' GLN . 6.4 tm0? -47.65 -17.95 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.557 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.542 ' O ' ' N ' ' A' ' 31' ' ' ILE . . . -88.77 -72.65 1.28 Allowed Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 41.4 t80 -42.28 -18.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.809 0.338 . . . . 0.0 110.571 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.542 ' N ' ' O ' ' A' ' 29' ' ' GLY . 70.7 mt -77.06 -69.13 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.575 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 41.1 tt0 -78.94 30.0 0.2 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.595 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.451 ' H ' ' C ' ' A' ' 31' ' ' ILE . 97.8 m-20 -112.92 -51.05 2.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.606 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 15.7 ptm180 -91.17 -27.02 18.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.62 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -99.22 -12.88 20.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.559 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -58.75 132.52 52.59 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 92.3 mtt180 -83.51 145.07 29.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.751 0.31 . . . . 0.0 110.579 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 56.4 ttp -96.57 121.83 38.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.541 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 76.91 14.89 82.14 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -83.93 -171.88 48.29 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 76.7 tt0 -162.06 76.57 0.48 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.88 0.372 . . . . 0.0 110.617 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.755 ' H ' ' HD3' ' A' ' 43' ' ' PRO . . . 174.79 47.98 0.02 OUTLIER Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.644 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.755 ' HD3' ' H ' ' A' ' 42' ' ' ALA . 51.8 Cg_exo -48.33 118.75 3.46 Favored 'Trans proline' 0 C--N 1.306 -1.692 0 C-N-CA 122.81 2.34 . . . . 0.0 112.092 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -93.03 -8.66 42.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.616 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.43 ' O ' HD13 ' A' ' 45' ' ' LEU . 0.2 OUTLIER -107.19 66.19 0.67 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.638 179.95 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -74.27 137.97 43.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.579 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 22.7 tp -174.34 -81.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.608 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.637 ' N ' ' HD3' ' A' ' 49' ' ' PRO . 27.6 p-10 -161.77 54.79 0.54 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.642 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.637 ' HD3' ' N ' ' A' ' 48' ' ' ASP . 27.3 Cg_exo -58.29 58.31 0.05 OUTLIER 'Trans proline' 0 C--N 1.306 -1.667 0 C-N-CA 122.806 2.337 . . . . 0.0 111.976 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.622 ' N ' ' O ' ' A' ' 48' ' ' ASP . 2.9 m -150.15 53.38 1.25 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.661 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.594 ' HD3' ' N ' ' A' ' 50' ' ' VAL . 50.2 Cg_exo -51.05 162.91 0.96 Allowed 'Trans proline' 0 C--N 1.305 -1.744 0 C-N-CA 122.772 2.315 . . . . 0.0 112.023 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 69.2 tp60 -141.7 -36.92 0.42 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.575 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 43.2 p-10 -87.91 133.84 33.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.546 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -81.39 -0.95 43.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.542 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 68.8 m -61.38 -39.85 92.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.543 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 73.7 p -83.37 -33.8 25.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.529 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 64.4 tttp -49.87 -54.73 17.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.594 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 29.9 ttpt -59.81 -48.07 83.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.601 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.6 -26.13 67.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.601 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.5 t -71.57 -35.24 70.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.529 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.466 ' CD ' ' NH2' ' A' ' 65' ' ' ARG . 43.6 tt0 -64.18 -31.49 72.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.566 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 99.7 m -64.42 -37.76 88.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.548 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.417 ' CD1' ' N ' ' A' ' 63' ' ' LEU . 9.6 mp -75.47 -24.54 56.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.543 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -84.31 -36.58 22.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.637 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.466 ' NH2' ' CD ' ' A' ' 61' ' ' GLU . 99.4 mtt180 -68.54 -44.56 74.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.528 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 20.5 tt -76.37 -35.11 26.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.544 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.425 ' O ' ' CB ' ' A' ' 71' ' ' ASP . . . -61.03 -45.46 96.56 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -62.68 -34.32 76.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.84 0.352 . . . . 0.0 110.601 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 50.6 tp10 -79.64 -58.49 3.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.557 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.21 -43.0 74.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.526 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.425 ' CB ' ' O ' ' A' ' 67' ' ' GLY . 54.7 t0 -65.09 -8.77 18.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.56 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 7.4 t -96.41 7.13 47.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.525 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -92.96 111.48 23.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.566 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 96.8 mmm -68.37 -11.1 59.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.592 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -80.36 -67.28 0.78 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.571 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.6 tp -59.82 -40.37 88.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.523 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 8.3 tm0? -61.74 -37.92 86.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.588 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 72.4 ttt180 -68.57 -44.9 73.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.548 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 64.0 mtp -54.49 -43.91 72.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.584 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.517 ' O ' HG12 ' A' ' 83' ' ' VAL . 86.2 mt -62.35 -23.72 32.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.598 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -85.95 -18.81 31.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.627 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -86.37 -15.46 40.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.62 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.612 ' O ' ' CG1' ' A' ' 83' ' ' VAL . 8.1 p -89.34 82.75 2.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.583 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.423 ' O ' ' O ' ' A' ' 83' ' ' VAL . 56.5 p-10 -40.58 162.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.513 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 75.0 p -119.64 120.01 35.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.659 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -148.95 -0.22 0.52 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.488 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.423 ' O ' HG11 ' A' ' 91' ' ' VAL . 40.4 t -175.82 88.25 0.29 Allowed Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.458 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.5 ' O ' ' CB ' ' A' ' 92' ' ' PHE . 36.7 Cg_endo -68.79 -15.64 40.87 Favored 'Trans proline' 0 C--N 1.306 -1.684 0 C-N-CA 122.793 2.328 . . . . 0.0 112.092 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 15.0 ptt-85 -86.0 -34.19 20.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.551 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -79.3 -57.44 3.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.602 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.473 ' CG1' ' N ' ' A' ' 92' ' ' PHE . 9.7 p -57.51 -51.19 72.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.527 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.5 ' CB ' ' O ' ' A' ' 88' ' ' PRO . 85.3 t80 -46.17 -52.16 12.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.479 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -67.84 -30.47 69.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.6 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 16.2 tpp180 -71.46 -57.97 3.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.581 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.445 ' CG2' ' N ' ' A' ' 96' ' ' ALA . 27.5 m -59.34 -48.07 88.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.534 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.445 ' N ' ' CG2' ' A' ' 95' ' ' VAL . . . -55.15 -27.65 47.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.522 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -81.85 -38.92 24.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.561 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 99' ' ' MET . 99.5 m-20 -63.17 -38.68 92.13 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.53 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' MET . . . . . 0.522 ' HB2' HH21 ' A' ' 109' ' ' ARG . 64.2 mtt -38.42 -68.79 0.14 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.605 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.601 ' CD2' ' O ' ' A' ' 100' ' ' PHE . 16.8 p90 -111.37 57.6 0.63 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.535 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.1 t -74.7 -26.86 60.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.557 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . 0.532 ' O ' ' C ' ' A' ' 103' ' ' GLY . 55.1 p-10 -155.57 -18.39 0.11 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.533 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.532 ' C ' ' O ' ' A' ' 102' ' ' ASP . . . -26.32 -80.65 0.01 OUTLIER Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . 0.608 ' O ' ' CG ' ' A' ' 105' ' ' PHE . 10.9 m-20 174.5 34.38 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.785 0.326 . . . . 0.0 110.514 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.608 ' CG ' ' O ' ' A' ' 104' ' ' ASN . 31.8 p90 42.64 29.07 0.14 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.564 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.542 ' CG ' ' H ' ' A' ' 107' ' ' TRP . 28.4 p30 -52.12 -110.44 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.615 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' TRP . . . . . 0.542 ' H ' ' CG ' ' A' ' 106' ' ' ASN . 6.5 t90 174.64 -26.2 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.549 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . 0.44 ' O ' HG13 ' A' ' 111' ' ' VAL . . . -50.11 -42.07 39.4 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . 0.522 HH21 ' HB2' ' A' ' 99' ' ' MET . 0.0 OUTLIER -48.24 -26.04 1.79 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.756 0.312 . . . . 0.0 110.511 -179.947 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.475 HG23 ' NE1' ' A' ' 107' ' ' TRP . 36.0 t -52.52 -57.94 3.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.536 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.552 ' CG1' ' N ' ' A' ' 112' ' ' ALA . 4.8 p -45.29 -46.66 3.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.577 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.552 ' N ' ' CG1' ' A' ' 111' ' ' VAL . . . -58.11 -35.18 71.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.514 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.0 tt -56.86 -46.7 81.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.566 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.45 ' CZ ' ' CG1' ' A' ' 110' ' ' VAL . 9.9 m-85 -57.17 -44.1 83.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.529 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 92.9 t80 -68.07 -43.62 78.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.534 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 93.2 t80 -59.05 -41.81 88.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.541 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -71.04 -32.5 69.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.52 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 5.6 t -48.64 -44.27 37.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.56 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.808 ' O ' ' CB ' ' A' ' 123' ' ' LYS . 56.4 mmtt -59.85 -43.68 94.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.566 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 52.2 mt -68.19 -30.95 70.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.582 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.409 ' O ' ' CD1' ' A' ' 133' ' ' ILE . 54.0 t -77.43 -53.14 15.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.638 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 74.0 mt -73.25 -40.81 64.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.517 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.808 ' CB ' ' O ' ' A' ' 119' ' ' LYS . 14.5 tmtt? -58.22 -41.16 83.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.543 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -75.71 -20.81 58.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.607 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 5.0 tp -64.15 -30.87 71.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.583 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . 0.467 ' SG ' ' N ' ' A' ' 127' ' ' THR . 14.6 p -84.22 -35.96 23.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.616 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' THR . . . . . 0.551 ' O ' ' CB ' ' A' ' 128' ' ' LYS . 52.3 m -54.26 -16.19 2.0 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.564 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.551 ' CB ' ' O ' ' A' ' 127' ' ' THR . 44.1 tttp 84.46 46.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.555 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 15.5 m -148.18 88.7 5.38 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.58 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -71.17 -14.48 31.68 Favored 'Trans proline' 0 C--N 1.304 -1.769 0 C-N-CA 122.793 2.329 . . . . 0.0 112.048 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -64.59 -41.02 96.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.533 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 9.2 mp -61.08 -33.99 74.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.528 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . 0.431 HD11 HG23 ' A' ' 133' ' ' ILE . 21.4 mm -56.99 -49.98 77.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.48 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 82.6 mtp180 -69.33 -34.68 74.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.493 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 7.2 m -67.34 -31.96 72.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.453 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 46.6 mt -69.71 -58.7 4.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.571 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' MET . . . . . 0.419 ' O ' ' OG1' ' A' ' 140' ' ' THR . 28.5 mmt -46.62 -25.53 0.73 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.493 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -68.61 -40.5 85.87 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' TRP . . . . . 0.519 ' CD1' ' N ' ' A' ' 139' ' ' TRP . 11.3 m0 -66.31 -24.53 66.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.791 0.329 . . . . 0.0 110.478 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' THR . . . . . 0.478 ' OG1' ' N ' ' A' ' 141' ' ' LEU . 20.4 p -75.48 -65.84 0.85 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.556 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . 0.478 ' N ' ' OG1' ' A' ' 140' ' ' THR . 52.9 mt -51.78 -33.58 35.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.561 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -65.81 -51.02 62.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.532 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . 0.443 ' O ' ' HB2' ' A' ' 147' ' ' ARG . 5.6 t80 -66.8 -38.93 87.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.57 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 1.7 tp -71.01 -35.6 72.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.532 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 58.8 ttp180 -82.96 -10.63 58.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.593 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 69.2 mm-40 -112.05 -4.59 14.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.602 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . 1.152 ' O ' ' N ' ' A' ' 149' ' ' LEU . 11.9 mtp180 -142.19 -110.89 0.13 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.576 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . 0.697 ' O ' ' N ' ' A' ' 152' ' ' ILE . 1.0 OUTLIER -15.44 -27.74 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.553 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . 1.152 ' N ' ' O ' ' A' ' 147' ' ' ARG . 1.1 tt -49.14 -56.23 9.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.539 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -63.92 -50.52 60.4 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 151' ' ' TRP . . . . . . . . . . . . . 99.2 m95 -66.47 -55.68 14.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.785 0.326 . . . . 0.0 110.552 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 152' ' ' ILE . . . . . 0.697 ' N ' ' O ' ' A' ' 148' ' ' LEU . 10.3 tt -51.41 -34.31 15.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.538 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . 0.419 ' CD ' ' CD2' ' A' ' 149' ' ' LEU . 6.9 mt-30 -67.42 -31.4 71.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.591 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -88.81 -4.7 58.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.62 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -97.46 0.84 48.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.581 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 83.56 24.72 49.48 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 89.88 -160.4 28.64 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.816 -0.914 . . . . 0.0 110.816 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 158' ' ' TRP . . . . . 0.418 ' HE1' HG23 ' A' ' 19' ' ' ILE . 39.4 m95 -73.95 -5.59 42.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.888 0.375 . . . . 0.0 110.651 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 67.4 t0 -60.93 -42.41 98.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.619 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -54.41 -32.26 52.07 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 2.1 tt -62.85 -54.0 45.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.864 0.364 . . . . 0.0 110.624 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 51.2 tp -67.12 -31.06 71.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.52 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 5.0 t -66.81 -26.37 66.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.537 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 164' ' ' TYR . . . . . 0.421 ' C ' ' H ' ' A' ' 166' ' ' GLY . 93.9 t80 -76.46 -42.67 42.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.588 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -71.7 47.92 0.14 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.599 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 166' ' ' GLY . . . . . 0.421 ' H ' ' C ' ' A' ' 164' ' ' TYR . . . -130.8 39.12 1.83 Allowed Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 167' ' ' THR . . . . . 1.067 ' OG1' ' HD2' ' A' ' 168' ' ' PRO . 0.6 OUTLIER -108.61 -179.67 0.72 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 120.912 0.387 . . . . 0.0 110.567 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 168' ' ' PRO . . . . . 1.067 ' HD2' ' OG1' ' A' ' 167' ' ' THR . 55.2 Cg_endo -73.73 -146.35 0.03 OUTLIER 'Trans proline' 0 C--N 1.305 -1.733 0 C-N-CA 122.811 2.34 . . . . 0.0 112.12 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 169' ' ' THR . . . . . 0.595 ' C ' ' O ' ' A' ' 168' ' ' PRO . 21.4 p -22.29 101.03 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.618 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 170' ' ' TRP . . . . . 0.618 ' O ' HG23 ' A' ' 173' ' ' VAL . 27.3 p90 -64.69 -18.62 65.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.53 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 171' ' ' GLN . . . . . 0.54 ' NE2' ' OG1' ' A' ' 172' ' ' THR . 5.4 pp0? -47.26 -14.11 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.53 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 172' ' ' THR . . . . . 0.54 ' OG1' ' NE2' ' A' ' 171' ' ' GLN . 4.6 m -86.92 -29.54 22.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.554 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 173' ' ' VAL . . . . . 0.618 HG23 ' O ' ' A' ' 170' ' ' TRP . 2.0 m -72.15 -45.7 61.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.462 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 174' ' ' THR . . . . . 0.566 ' N ' ' CG2' ' A' ' 173' ' ' VAL . 25.0 m -64.53 -24.94 67.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.554 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 175' ' ' ILE . . . . . 0.428 HG23 ' O ' ' A' ' 172' ' ' THR . 1.7 tt -85.77 -7.43 10.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.587 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 176' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -94.65 -60.14 1.77 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.529 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 3.2 m -62.05 -16.72 16.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.553 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 178' ' ' ALA . . . . . 0.629 ' O ' ' OG1' ' A' ' 182' ' ' THR . . . -95.55 -45.93 6.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.587 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -62.29 -26.16 67.51 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 180' ' ' VAL . . . . . 0.519 ' CG1' ' N ' ' A' ' 181' ' ' LEU . 14.0 p -86.32 -51.66 12.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.84 0.352 . . . . 0.0 110.588 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . 0.519 ' N ' ' CG1' ' A' ' 180' ' ' VAL . 45.9 tp -69.35 -47.97 62.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.549 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 182' ' ' THR . . . . . 0.629 ' OG1' ' O ' ' A' ' 178' ' ' ALA . 26.3 m -50.5 -51.4 47.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.536 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -47.33 -45.74 24.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.558 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 184' ' ' SER . . . . . . . . . . . . . 27.1 t -54.37 -37.92 65.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.595 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 58.3 mt -77.66 -21.69 51.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.591 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 21.3 m -73.21 -44.87 58.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.571 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 187' ' ' ILE . . . . . 0.505 ' O ' ' C ' ' A' ' 188' ' ' TRP . 12.3 tt -73.66 -51.59 24.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.57 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 188' ' ' TRP . . . . . 0.505 ' C ' ' O ' ' A' ' 187' ' ' ILE . 0.2 OUTLIER -30.8 -56.9 0.22 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.513 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 7.8 mmtt -175.8 128.24 0.24 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.585 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 190' ' ' LYS . . . . . . . . . . . . . 17.7 pttm -109.87 89.61 3.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.545 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 191' ' ' MET . . . . . . . . . . . . . 82.3 mtp -128.6 136.55 50.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.559 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.738 0 CA-C-O 117.968 -1.462 . . . . 0.0 110.982 179.941 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 130' ' ' CYS . . . . . 0.474 ' O ' ' SG ' ' B' ' 130' ' ' CYS . 53.8 t . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 131' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -72.01 -42.39 66.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.596 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -153.0 87.02 1.26 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.615 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 133' ' ' LEU . . . . . 0.478 ' O ' ' HB3' ' B' ' 134' ' ' LYS . 4.4 mm? 56.62 52.89 9.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.526 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 134' ' ' LYS . . . . . 0.478 ' HB3' ' O ' ' B' ' 133' ' ' LEU . 64.2 tttm 67.25 -83.66 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.589 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 135' ' ' LYS . . . . . 0.411 ' CG ' ' O ' ' B' ' 134' ' ' LYS . 51.9 mtmt -158.19 134.58 9.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.58 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 136' ' ' ALA . . . . . . . . . . . . . . . -72.69 143.78 47.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.575 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 40.6 mt -83.67 80.35 9.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.606 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 138' ' ' ARG . . . . . . . . . . . . . 83.4 mtt85 -63.89 -34.16 77.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.609 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 139' ' ' ARG . . . . . . . . . . . . . 83.5 mtp180 -61.81 -45.04 95.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.537 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 140' ' ' HIS . . . . . 0.703 ' O ' ' N ' ' B' ' 143' ' ' LEU . 60.7 m80 -78.8 -66.34 0.87 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.495 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 141' ' ' ARG . . . . . 0.493 ' C ' ' O ' ' B' ' 140' ' ' HIS . 72.0 ttp85 -31.85 -33.91 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.49 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 142' ' ' PHE . . . . . 0.57 ' N ' ' O ' ' B' ' 140' ' ' HIS . 12.9 t80 -90.08 -33.26 16.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.544 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 143' ' ' LEU . . . . . 0.703 ' N ' ' O ' ' B' ' 140' ' ' HIS . 33.3 tp -54.31 -36.68 63.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.514 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 144' ' ' TRP . . . . . 0.484 ' O ' ' C ' ' B' ' 145' ' ' GLN . 66.2 t-105 -84.69 -56.63 3.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.561 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 145' ' ' GLN . . . . . 0.484 ' C ' ' O ' ' B' ' 144' ' ' TRP . 13.1 tm0? -32.99 -65.11 0.17 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.562 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 146' ' ' ARG . . . . . 0.438 ' HG2' ' H ' ' B' ' 148' ' ' GLN . 62.5 ttm-85 -57.03 141.67 44.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.529 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 147' ' ' ARG . . . . . . . . . . . . . 85.9 mtm-85 -54.61 -42.06 70.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.538 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 148' ' ' GLN . . . . . 0.496 ' C ' ' H ' ' B' ' 150' ' ' ALA . 43.5 mm-40 49.7 37.54 13.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.568 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 21.2 mmt85 48.01 13.89 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.597 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 150' ' ' ALA . . . . . 0.496 ' H ' ' C ' ' B' ' 148' ' ' GLN . . . . . . . . 0 C--O 1.22 -0.46 0 CA-C-O 117.971 -1.014 . . . . 0.0 110.546 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.6 ptt? . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.51 ' OD1' ' N ' ' A' ' 3' ' ' GLY . 41.7 p-10 -74.87 -33.12 62.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.548 -146.601 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.51 ' N ' ' OD1' ' A' ' 2' ' ' ASP . . . 67.58 -68.04 0.27 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 -153.785 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 15.1 m -160.26 -35.2 0.05 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.814 0.34 . . . . 0.0 110.646 -119.27 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 179.53 179.78 48.79 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 126.523 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -73.06 133.82 44.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.799 0.333 . . . . 0.0 110.65 125.168 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 58.71 72.63 0.81 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.606 167.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -47.26 155.76 1.05 Allowed 'Trans proline' 0 C--N 1.305 -1.719 0 C-N-CA 122.817 2.344 . . . . 0.0 112.067 122.126 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 85.9 mtp180 -120.99 171.91 8.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.566 118.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 179.85 60.67 0.08 OUTLIER Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 122.572 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -74.03 60.35 2.21 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.986 -0.845 . . . . 0.0 110.986 133.31 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 176.2 31.89 0.04 OUTLIER Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -144.296 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -83.22 -11.77 9.58 Favored 'Trans proline' 0 C--N 1.305 -1.754 0 C-N-CA 122.768 2.312 . . . . 0.0 112.112 -105.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 64.1 p -75.81 78.53 2.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.537 -172.122 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 88.6 p -165.27 173.66 11.01 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.528 -149.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 70.0 m -74.88 -6.95 51.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.548 -151.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -92.85 -47.3 7.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.572 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 44.4 tp60 -64.09 -27.93 69.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.566 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 85.2 mt -79.04 -53.26 13.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.483 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.456 ' SD ' ' C ' ' A' ' 20' ' ' MET . 2.1 tmt? -55.65 -35.85 66.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.466 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.448 ' O ' ' HB2' ' A' ' 25' ' ' LEU . 16.9 ttmm -68.08 -45.11 74.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.48 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 37.7 m -72.82 -9.37 58.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.572 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -78.57 -53.83 4.52 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.568 ' O ' ' NE2' ' A' ' 28' ' ' GLN . . . -78.14 -9.47 59.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.885 0.374 . . . . 0.0 110.453 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.551 ' O ' ' C ' ' A' ' 26' ' ' LEU . 1.7 mp -86.96 -80.4 0.25 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.482 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.551 ' C ' ' O ' ' A' ' 25' ' ' LEU . 1.2 tt -27.11 -65.61 0.07 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.539 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.852 ' O ' HG13 ' A' ' 31' ' ' ILE . 0.4 OUTLIER -51.38 -58.34 6.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.541 179.922 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.568 ' NE2' ' O ' ' A' ' 24' ' ' ALA . 0.4 OUTLIER -47.0 -17.44 0.05 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.427 179.922 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.564 ' O ' ' N ' ' A' ' 31' ' ' ILE . . . -89.45 -73.39 1.28 Allowed Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.871 -0.892 . . . . 0.0 110.871 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 44.4 t80 -41.59 -18.77 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.846 0.355 . . . . 0.0 110.48 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.852 HG13 ' O ' ' A' ' 27' ' ' LEU . 74.7 mt -76.96 -69.95 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.47 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -78.41 30.48 0.18 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.567 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.458 ' H ' ' C ' ' A' ' 31' ' ' ILE . 67.2 t0 -113.41 -51.13 2.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.517 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 -91.32 -26.92 18.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.639 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -98.89 -13.1 20.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.601 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -75.65 -19.88 78.76 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.568 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 63.4 ttm-85 -62.06 -39.35 92.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.753 0.311 . . . . 0.0 110.483 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 97.4 mmm -65.33 -37.21 86.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.661 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 75.27 -99.32 1.18 Allowed Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.639 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 67.33 -126.84 25.95 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.859 -0.896 . . . . 0.0 110.859 -179.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -60.16 146.14 44.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.754 0.311 . . . . 0.0 110.555 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -39.7 155.75 0.16 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.54 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -43.6 106.42 0.08 OUTLIER 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.811 2.341 . . . . 0.0 112.09 -179.23 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -84.21 -12.58 54.58 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.526 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.421 ' O ' ' CD2' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -97.45 65.25 1.92 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.579 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -76.95 135.96 38.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.555 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.431 HD22 ' N ' ' A' ' 47' ' ' LEU . 1.4 pt? -158.86 -144.07 0.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.57 179.152 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -131.58 82.32 61.63 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.605 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 5.3 Cg_exo -77.2 46.73 2.04 Favored 'Trans proline' 0 C--N 1.305 -1.728 0 C-N-CA 122.809 2.339 . . . . 0.0 112.059 179.417 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.694 ' N ' ' CD ' ' A' ' 51' ' ' PRO . 0.6 OUTLIER -71.72 -39.1 6.87 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.574 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.694 ' CD ' ' N ' ' A' ' 50' ' ' VAL . 3.8 Cg_exo -74.73 157.54 43.82 Favored 'Trans proline' 0 C--N 1.304 -1.78 0 C-N-CA 122.864 2.376 . . . . 0.0 112.174 179.451 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -149.81 21.37 0.9 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.513 -179.076 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -58.41 143.88 43.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.575 179.315 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -86.04 -1.98 57.88 Favored 'General case' 0 C--N 1.347 0.477 0 O-C-N 120.018 -1.676 . . . . 0.0 110.497 -176.609 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 70.5 m -59.23 -39.99 84.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.562 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 74.3 p -81.61 -34.02 31.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.533 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 58.4 mmtt -50.18 -54.89 17.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.553 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 30.3 ttpt -59.84 -47.73 84.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.567 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.3 mt -61.88 -26.53 68.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.64 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.6 t -71.15 -35.4 71.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.546 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -63.81 -31.88 73.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.525 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 94.5 m -64.07 -37.88 89.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.586 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 7.6 mp -75.24 -24.56 57.69 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.597 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -84.4 -36.47 22.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.572 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.44 ' O ' ' OE2' ' A' ' 69' ' ' GLU . 99.7 mtt180 -68.76 -44.35 73.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.473 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 20.5 tt -76.62 -35.04 24.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.501 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.43 ' O ' ' CB ' ' A' ' 71' ' ' ASP . . . -61.03 -45.43 96.63 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.951 -0.859 . . . . 0.0 110.951 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 47.6 t0 -62.86 -34.18 76.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.792 0.33 . . . . 0.0 110.591 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.544 ' OE1' ' N ' ' A' ' 69' ' ' GLU . 0.3 OUTLIER -79.62 -58.84 2.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.525 179.924 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -54.81 -43.27 72.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.481 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.43 ' CB ' ' O ' ' A' ' 67' ' ' GLY . 38.9 t70 -64.97 -8.61 16.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.623 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.7 t -96.65 7.31 46.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.499 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -93.27 111.28 22.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.614 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 8.7 ptm -67.92 -11.73 59.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.582 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 80.3 tt0 -79.93 -67.28 0.78 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.595 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 8.1 tp -59.8 -40.29 87.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.601 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.639 ' NE2' ' HZ2' ' A' ' 119' ' ' LYS . 69.4 tp60 -61.92 -37.77 85.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.477 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 75.1 ttt180 -68.66 -44.73 73.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.517 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 73.4 mtp -54.69 -43.94 72.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.566 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.538 ' O ' HG12 ' A' ' 83' ' ' VAL . 83.7 mt -62.18 -24.16 33.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.637 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -85.34 -19.03 32.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.538 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -86.4 -15.5 40.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.593 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.613 ' O ' ' CG1' ' A' ' 83' ' ' VAL . 8.1 p -89.61 84.39 2.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.56 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 55.0 p-10 -44.52 159.97 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.628 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.444 ' O ' ' OD1' ' A' ' 86' ' ' ASP . 66.9 p -116.56 127.69 54.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.586 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.444 ' OD1' ' O ' ' A' ' 85' ' ' THR . 69.1 m-20 -156.86 1.7 0.13 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.63 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.563 ' HG ' ' H ' ' A' ' 90' ' ' GLU . 37.9 t -175.87 71.55 0.26 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.603 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.582 ' O ' ' CB ' ' A' ' 92' ' ' PHE . 2.7 Cg_endo -49.96 -27.44 16.37 Favored 'Trans proline' 0 C--N 1.305 -1.755 0 C-N-CA 122.767 2.312 . . . . 0.0 111.994 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.502 ' CG ' ' N ' ' A' ' 90' ' ' GLU . 34.5 ptt-85 -75.27 -44.31 46.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.592 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.563 ' H ' ' HG ' ' A' ' 87' ' ' SER . 94.2 mt-10 -67.02 -62.85 1.22 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.548 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.519 ' CG1' ' N ' ' A' ' 92' ' ' PHE . 10.5 p -52.97 -54.53 16.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.518 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.582 ' CB ' ' O ' ' A' ' 88' ' ' PRO . 82.8 t80 -42.67 -55.83 3.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.589 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -64.73 -31.71 73.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.554 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 11.6 tpp85 -69.9 -59.09 3.14 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.495 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.455 ' CG2' ' N ' ' A' ' 96' ' ' ALA . 27.5 m -58.54 -48.71 84.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.542 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.455 ' N ' ' CG2' ' A' ' 95' ' ' VAL . . . -54.18 -27.74 35.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.588 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -81.93 -39.19 24.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.547 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.413 ' O ' ' C ' ' A' ' 99' ' ' MET . 99.8 m-20 -62.78 -38.97 92.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.612 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' MET . . . . . 0.508 ' HB2' HH21 ' A' ' 109' ' ' ARG . 63.5 mtt -37.97 -69.28 0.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.568 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.604 ' CD2' ' O ' ' A' ' 100' ' ' PHE . 16.3 p90 -111.07 57.84 0.62 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.521 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.2 t -74.91 -26.88 59.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.563 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . 0.538 ' O ' ' C ' ' A' ' 103' ' ' GLY . 55.3 p-10 -155.55 -18.47 0.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.547 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.538 ' C ' ' O ' ' A' ' 102' ' ' ASP . . . -26.19 -80.76 0.01 OUTLIER Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . 0.61 ' O ' ' CG ' ' A' ' 105' ' ' PHE . 8.3 m-20 174.48 34.21 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.764 0.316 . . . . 0.0 110.523 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.61 ' CG ' ' O ' ' A' ' 104' ' ' ASN . 28.4 p90 42.72 29.5 0.17 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.554 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.542 ' CG ' ' H ' ' A' ' 107' ' ' TRP . 28.5 p30 -52.29 -110.21 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.53 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' TRP . . . . . 0.542 ' H ' ' CG ' ' A' ' 106' ' ' ASN . 6.7 t90 174.25 -26.14 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.505 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . 0.43 ' O ' HG13 ' A' ' 111' ' ' VAL . . . -50.37 -42.07 41.58 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . 0.508 HH21 ' HB2' ' A' ' 99' ' ' MET . 0.0 OUTLIER -48.31 -25.36 1.53 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.808 0.337 . . . . 0.0 110.586 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.474 ' N ' ' HD3' ' A' ' 109' ' ' ARG . 36.5 t -53.3 -57.61 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.566 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.559 ' CG1' ' N ' ' A' ' 112' ' ' ALA . 4.7 p -45.51 -46.82 4.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.567 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.559 ' N ' ' CG1' ' A' ' 111' ' ' VAL . . . -58.28 -34.1 70.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.534 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.2 tt -57.87 -46.01 85.47 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.519 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.403 ' CD2' ' HG ' ' A' ' 27' ' ' LEU . 3.2 m-85 -58.02 -43.4 86.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.58 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 89.8 t80 -68.76 -42.19 77.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.538 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 92.3 t80 -60.23 -41.31 92.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.551 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.402 ' O ' HG23 ' A' ' 121' ' ' VAL . . . -72.03 -31.88 66.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.465 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 5.8 t -49.28 -42.62 41.57 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.519 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.818 ' O ' ' CB ' ' A' ' 123' ' ' LYS . 57.3 mmtt -61.87 -43.45 98.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.546 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 50.2 mt -68.44 -28.86 67.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.377 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 117' ' ' ALA . 59.3 t -79.12 -54.1 12.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.385 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 68.5 mt -72.48 -40.91 66.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.482 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.818 ' CB ' ' O ' ' A' ' 119' ' ' LYS . 19.8 ttpp -58.13 -40.61 81.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.418 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.478 ' O ' ' OG1' ' A' ' 127' ' ' THR . . . -76.58 -19.83 57.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.458 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 5.6 tt -65.43 -31.03 71.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.575 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . 0.465 ' SG ' ' N ' ' A' ' 127' ' ' THR . 1.6 p -84.92 -33.54 22.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.545 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' THR . . . . . 0.68 ' O ' ' HB2' ' A' ' 128' ' ' LYS . 35.8 p -56.23 -21.69 25.0 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.616 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.68 ' HB2' ' O ' ' A' ' 127' ' ' THR . 17.4 mtpp 86.39 53.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.602 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . 0.414 ' CG2' ' OG1' ' A' ' 127' ' ' THR . 0.1 OUTLIER -154.55 69.65 5.94 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.608 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -48.42 -27.91 10.86 Favored 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 122.87 2.38 . . . . 0.0 112.119 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -51.81 -52.05 51.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.639 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.52 ' HA ' ' OG1' ' A' ' 135' ' ' THR . 8.6 mp -50.32 -35.88 29.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.618 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 22.5 mm -56.5 -51.0 70.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.785 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 93.9 mtt180 -68.89 -35.23 76.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.604 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' THR . . . . . 0.52 ' OG1' ' HA ' ' A' ' 132' ' ' LEU . 69.1 p -66.21 -32.05 73.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.652 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 47.2 mt -69.51 -59.09 3.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.591 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' MET . . . . . 0.424 ' O ' ' OG1' ' A' ' 140' ' ' THR . 78.6 mtm -46.06 -25.75 0.63 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.632 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -68.31 -40.73 87.17 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' TRP . . . . . 0.563 ' CD1' ' N ' ' A' ' 139' ' ' TRP . 9.3 m0 -66.12 -24.57 66.71 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.766 0.317 . . . . 0.0 110.599 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' THR . . . . . 0.471 ' OG1' ' N ' ' A' ' 141' ' ' LEU . 22.9 p -75.42 -65.66 0.86 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.515 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . 0.471 ' N ' ' OG1' ' A' ' 140' ' ' THR . 53.8 mt -51.91 -33.58 37.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.581 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -65.81 -51.0 62.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.52 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . 0.425 ' O ' ' HB2' ' A' ' 147' ' ' ARG . 5.2 t80 -66.88 -38.91 87.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.543 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 2.0 tp -70.94 -35.57 72.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.6 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 59.0 ttp180 -82.74 -11.14 58.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.537 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -111.67 -4.83 14.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.56 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . 1.146 ' O ' ' N ' ' A' ' 149' ' ' LEU . 12.1 mtp180 -141.74 -110.56 0.13 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.554 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . 0.685 ' O ' ' N ' ' A' ' 152' ' ' ILE . 1.0 OUTLIER -16.05 -27.01 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.612 -179.896 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . 1.146 ' N ' ' O ' ' A' ' 147' ' ' ARG . 48.5 tp -49.72 -55.95 12.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.545 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -64.11 -50.71 58.63 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 151' ' ' TRP . . . . . . . . . . . . . 99.6 m95 -66.11 -55.98 13.73 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.772 0.32 . . . . 0.0 110.501 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 152' ' ' ILE . . . . . 0.685 ' N ' ' O ' ' A' ' 148' ' ' LEU . 10.8 tt -51.32 -34.03 14.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.453 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 47.4 tt0 -67.63 -31.29 71.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.56 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -89.23 -4.01 58.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.488 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -98.12 0.97 47.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.623 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 83.42 24.36 51.17 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 89.89 -160.02 28.34 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . 59.1 m95 -74.22 -5.47 42.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.82 0.343 . . . . 0.0 110.556 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -61.09 -42.47 98.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.518 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -54.69 -31.54 53.46 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 2.1 tt -63.55 -53.49 50.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.812 0.339 . . . . 0.0 110.611 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 51.6 tp -67.95 -30.28 69.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.55 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 5.5 t -68.11 -23.76 64.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.629 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 91.1 t80 -80.09 -41.02 26.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.634 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -71.49 50.68 0.17 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.57 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -135.9 42.64 1.31 Allowed Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 167' ' ' THR . . . . . 0.643 ' O ' ' O ' ' A' ' 168' ' ' PRO . 0.5 OUTLIER -111.57 161.57 24.88 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 120.883 0.373 . . . . 0.0 110.534 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 168' ' ' PRO . . . . . 0.643 ' O ' ' O ' ' A' ' 167' ' ' THR . 1.4 Cg_endo -47.72 -136.62 0.0 OUTLIER 'Trans proline' 0 C--N 1.306 -1.707 0 C-N-CA 122.752 2.301 . . . . 0.0 112.074 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 169' ' ' THR . . . . . 0.459 ' H ' ' HB2' ' A' ' 168' ' ' PRO . 10.6 p -38.43 114.15 0.35 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.613 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 170' ' ' TRP . . . . . 0.643 ' O ' HG23 ' A' ' 173' ' ' VAL . 8.3 p90 -71.79 -18.12 62.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.576 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 171' ' ' GLN . . . . . 0.534 ' NE2' ' OG1' ' A' ' 172' ' ' THR . 5.4 pp0? -47.31 -15.89 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.565 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 172' ' ' THR . . . . . 0.534 ' OG1' ' NE2' ' A' ' 171' ' ' GLN . 4.8 m -85.26 -29.45 24.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.543 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 173' ' ' VAL . . . . . 0.643 HG23 ' O ' ' A' ' 170' ' ' TRP . 2.0 m -72.36 -45.6 59.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.614 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 174' ' ' THR . . . . . 0.57 ' N ' ' CG2' ' A' ' 173' ' ' VAL . 24.9 m -64.5 -25.12 67.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.594 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 175' ' ' ILE . . . . . 0.418 ' O ' ' CG2' ' A' ' 175' ' ' ILE . 90.7 mt -85.59 -7.5 10.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.608 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 176' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -94.66 -59.91 1.82 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.536 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 3.1 m -62.35 -16.52 16.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.566 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 178' ' ' ALA . . . . . 0.63 ' O ' ' OG1' ' A' ' 182' ' ' THR . . . -95.77 -45.8 6.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.546 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -62.66 -25.52 67.45 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.909 -0.877 . . . . 0.0 110.909 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 180' ' ' VAL . . . . . 0.516 ' CG1' ' N ' ' A' ' 181' ' ' LEU . 13.7 p -86.78 -51.51 12.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.782 0.325 . . . . 0.0 110.526 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . 0.516 ' N ' ' CG1' ' A' ' 180' ' ' VAL . 43.3 tp -69.64 -47.82 62.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.626 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 182' ' ' THR . . . . . 0.63 ' OG1' ' O ' ' A' ' 178' ' ' ALA . 25.9 m -50.51 -51.62 45.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.529 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -47.28 -45.74 24.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.498 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 184' ' ' SER . . . . . . . . . . . . . 28.2 t -54.39 -37.77 65.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.557 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 63.9 mt -77.72 -21.65 51.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.515 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 21.2 m -73.27 -44.98 58.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.541 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 187' ' ' ILE . . . . . 0.507 ' O ' ' C ' ' A' ' 188' ' ' TRP . 12.6 tt -73.59 -51.86 23.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.586 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 188' ' ' TRP . . . . . 0.507 ' C ' ' O ' ' A' ' 187' ' ' ILE . 0.2 OUTLIER -30.39 -57.33 0.2 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.542 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 8.0 mmtt -175.4 128.42 0.27 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.654 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 190' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.87 89.61 3.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.5 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 191' ' ' MET . . . . . . . . . . . . . 92.6 mtp -128.67 136.51 50.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.573 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.809 0 CA-C-O 117.904 -1.498 . . . . 0.0 110.94 179.96 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 130' ' ' CYS . . . . . . . . . . . . . 26.5 p . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 131' ' ' GLU . . . . . . . . . . . . . 66.9 mm-40 -64.64 -55.75 18.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.564 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -52.71 167.56 0.14 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.502 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 61.1 tp -57.48 -39.96 77.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.617 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 134' ' ' LYS . . . . . . . . . . . . . 50.5 tttm -177.02 -76.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.583 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 135' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -143.33 149.92 38.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.634 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 136' ' ' ALA . . . . . 0.457 ' HB3' HH21 ' B' ' 141' ' ' ARG . . . -144.8 134.85 23.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.481 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 137' ' ' LEU . . . . . 0.717 ' H ' ' NH2' ' B' ' 141' ' ' ARG . 7.0 mp -97.46 133.74 41.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.618 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 138' ' ' ARG . . . . . 0.497 ' O ' ' HB2' ' B' ' 142' ' ' PHE . 34.2 mmt180 -89.63 -9.96 47.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.438 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 139' ' ' ARG . . . . . . . . . . . . . 75.4 ttt180 -61.77 -44.65 96.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.561 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 140' ' ' HIS . . . . . 0.692 ' O ' ' N ' ' B' ' 143' ' ' LEU . 31.1 t-80 -79.56 -65.02 1.05 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.545 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 141' ' ' ARG . . . . . 0.717 ' NH2' ' H ' ' B' ' 137' ' ' LEU . 1.2 mpp_? -34.9 -31.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.444 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 142' ' ' PHE . . . . . 0.544 ' N ' ' O ' ' B' ' 140' ' ' HIS . 12.3 m-85 -93.06 -29.13 15.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.504 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 143' ' ' LEU . . . . . 0.692 ' N ' ' O ' ' B' ' 140' ' ' HIS . 33.7 tp -58.75 -34.39 71.33 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.595 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 144' ' ' TRP . . . . . 0.475 ' O ' ' C ' ' B' ' 145' ' ' GLN . 59.7 t-105 -85.63 -55.76 3.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.655 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 145' ' ' GLN . . . . . 0.475 ' C ' ' O ' ' B' ' 144' ' ' TRP . 5.1 tm0? -33.82 -71.49 0.06 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.574 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 146' ' ' ARG . . . . . . . . . . . . . 67.0 ttt180 -93.93 117.67 30.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.661 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 147' ' ' ARG . . . . . . . . . . . . . 43.8 ttm180 -155.53 108.54 2.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.52 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 148' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -72.03 -39.36 69.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.619 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 85.3 mtm-85 -109.31 119.31 39.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.549 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 150' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.476 0 CA-C-O 117.989 -1.005 . . . . 0.0 110.572 -179.989 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.403 ' H2 ' ' H ' ' A' ' 2' ' ' ASP . 10.1 ptt? . . . . . 0 N--CA 1.491 1.608 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.941 ' OD1' ' N ' ' A' ' 3' ' ' GLY . 58.4 p-10 -55.85 -55.9 26.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.624 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.941 ' N ' ' OD1' ' A' ' 2' ' ' ASP . . . 83.9 -66.96 3.81 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.984 -0.847 . . . . 0.0 110.984 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 59.5 m -147.08 -23.71 0.4 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.852 0.358 . . . . 0.0 110.531 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 147.69 -179.33 24.67 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.954 ' O ' ' HB3' ' A' ' 7' ' ' GLN . 5.8 tp10 -121.11 107.34 12.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.773 0.32 . . . . 0.0 110.525 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.954 ' HB3' ' O ' ' A' ' 6' ' ' GLU . 5.3 tp-100 98.48 58.81 0.0 OUTLIER Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.516 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.931 ' O ' ' O ' ' A' ' 9' ' ' ARG . 50.4 Cg_exo -48.34 163.05 0.27 Allowed 'Trans proline' 0 C--N 1.304 -1.765 0 C-N-CA 122.831 2.354 . . . . 0.0 112.04 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.931 ' O ' ' O ' ' A' ' 8' ' ' PRO . 29.1 mtp180 -13.01 147.3 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.328 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.674 ' O ' ' C ' ' A' ' 11' ' ' GLY . . . 176.32 0.41 0.03 OUTLIER Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.136 -0.785 . . . . 0.0 111.136 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.674 ' C ' ' O ' ' A' ' 10' ' ' GLY . . . -3.9 74.12 0.0 OUTLIER Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.657 ' N ' ' O ' ' A' ' 10' ' ' GLY . . . -147.54 -73.15 0.01 OUTLIER Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.914 ' O ' ' N ' ' A' ' 15' ' ' SER . 54.4 Cg_exo -46.86 -63.3 0.34 Allowed 'Trans proline' 0 C--N 1.305 -1.739 0 C-N-CA 122.805 2.337 . . . . 0.0 112.246 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.506 ' O ' ' HG2' ' A' ' 153' ' ' GLN . 30.4 p -33.31 -12.99 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.557 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 1.106 ' O ' HD11 ' A' ' 19' ' ' ILE . 1.3 p 44.1 72.44 0.19 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.542 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 36.2 m -92.31 -21.3 20.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.617 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.1 mm-40 -93.67 -51.12 5.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.612 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -52.33 -36.99 54.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.656 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 1.106 HD11 ' O ' ' A' ' 15' ' ' SER . 81.8 mt -71.81 -49.17 47.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.654 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.445 ' SD ' ' C ' ' A' ' 20' ' ' MET . 2.1 tmt? -59.25 -36.4 75.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.807 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -68.04 -42.78 80.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.747 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 84.7 m -73.03 -16.46 61.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.665 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -72.31 -54.54 7.72 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.74 -11.04 59.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.733 0.302 . . . . 0.0 110.67 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.518 ' O ' ' C ' ' A' ' 26' ' ' LEU . 5.9 tt -86.49 -77.19 0.32 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.624 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.518 ' C ' ' O ' ' A' ' 25' ' ' LEU . 49.4 tp -30.37 -63.88 0.13 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.598 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.7 tp -53.02 -55.86 20.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.592 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.426 ' O ' ' OE1' ' A' ' 28' ' ' GLN . 7.5 tp-100 -49.21 -17.99 0.3 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.569 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.524 ' O ' ' N ' ' A' ' 31' ' ' ILE . . . -88.6 -72.03 1.27 Allowed Glycine 0 CA--C 1.523 0.578 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -42.7 -18.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.75 0.31 . . . . 0.0 110.506 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.524 ' N ' ' O ' ' A' ' 29' ' ' GLY . 87.0 mt -77.02 -68.76 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.577 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -79.17 29.8 0.22 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.572 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.446 ' H ' ' C ' ' A' ' 31' ' ' ILE . 68.4 t0 -112.84 -50.95 2.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.54 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 -91.31 -26.83 18.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.582 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -99.17 -12.98 19.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.574 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.534 ' O ' ' N ' ' A' ' 38' ' ' MET . . . -65.22 -35.6 91.82 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 41.99 -91.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.735 0.302 . . . . 0.0 110.514 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.534 ' N ' ' O ' ' A' ' 36' ' ' GLY . 12.1 ptp -138.65 145.58 40.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.559 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 156.02 -124.09 1.42 Allowed Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.69 -9.0 71.26 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -78.58 -31.51 47.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.761 0.315 . . . . 0.0 110.571 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.535 ' N ' ' HD3' ' A' ' 43' ' ' PRO . . . -165.77 54.94 0.36 Allowed Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.558 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.535 ' HD3' ' N ' ' A' ' 42' ' ' ALA . 51.0 Cg_exo -48.45 156.23 1.85 Allowed 'Trans proline' 0 C--N 1.305 -1.742 0 C-N-CA 122.807 2.338 . . . . 0.0 112.124 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.472 ' OE1' ' HB3' ' A' ' 130' ' ' PRO . 28.7 mt-10 -94.06 -10.76 32.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.511 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.727 ' CD2' ' N ' ' A' ' 45' ' ' LEU . 0.4 OUTLIER -102.73 64.62 0.88 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.544 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.801 ' O ' ' CB ' ' A' ' 47' ' ' LEU . . . -71.95 137.57 47.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.573 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.801 ' CB ' ' O ' ' A' ' 46' ' ' ALA . 35.2 tp 112.49 82.45 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.57 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -175.92 71.16 0.26 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.634 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.709 ' O ' ' O ' ' A' ' 50' ' ' VAL . 50.7 Cg_exo -49.16 158.47 1.42 Allowed 'Trans proline' 0 C--N 1.305 -1.734 0 C-N-CA 122.771 2.314 . . . . 0.0 112.098 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.709 ' O ' ' O ' ' A' ' 49' ' ' PRO . 2.3 m -33.16 167.72 0.01 OUTLIER Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.502 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.653 ' HD2' ' HB ' ' A' ' 50' ' ' VAL . 36.7 Cg_endo -68.63 115.46 3.93 Favored 'Trans proline' 0 C--N 1.305 -1.729 0 C-N-CA 122.795 2.33 . . . . 0.0 112.08 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 93.6 mm-40 -68.64 -45.53 71.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.599 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.437 ' OD1' ' N ' ' A' ' 54' ' ' ALA . 41.6 t0 -154.72 165.88 35.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.534 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.437 ' N ' ' OD1' ' A' ' 53' ' ' ASP . . . -82.48 -3.57 56.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.554 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 38.7 t -57.63 -40.05 78.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.516 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -81.37 -33.76 32.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.525 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 58.8 mmtt -50.69 -54.6 21.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.609 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 30.5 ttpt -60.14 -47.48 85.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.558 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.14 -26.39 68.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.563 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.7 t -71.3 -35.53 71.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.512 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -63.64 -31.82 73.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.635 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 92.7 m -64.18 -37.89 89.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.557 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.445 ' CD1' ' N ' ' A' ' 63' ' ' LEU . 8.9 mp -75.27 -24.66 57.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.662 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -84.28 -36.63 22.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.577 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.441 ' O ' ' OE2' ' A' ' 69' ' ' GLU . 99.7 mtt180 -68.43 -44.48 74.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.592 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 20.7 tt -76.6 -34.99 24.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.542 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.426 ' O ' ' CB ' ' A' ' 71' ' ' ASP . . . -61.01 -45.36 96.77 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.441 ' OD1' ' O ' ' A' ' 68' ' ' ASP . 68.3 t0 -62.84 -34.27 76.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.667 0.27 . . . . 0.0 110.525 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.551 ' OE1' ' N ' ' A' ' 69' ' ' GLU . 0.3 OUTLIER -79.63 -58.49 3.16 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.597 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.19 -43.05 74.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.552 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.426 ' CB ' ' O ' ' A' ' 67' ' ' GLY . 38.9 t70 -65.07 -8.72 17.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.593 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.6 t -96.44 7.08 47.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.565 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -93.0 111.42 23.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.567 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 98.0 mmm -68.26 -11.15 58.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.585 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -80.4 -67.23 0.79 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.587 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 7.5 tp -59.86 -40.26 87.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.569 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 8.8 tm0? -61.83 -37.88 86.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.587 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 71.3 ttt180 -68.51 -44.98 73.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.568 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 73.8 mtp -54.42 -43.92 71.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.575 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.512 ' O ' HG12 ' A' ' 83' ' ' VAL . 84.1 mt -62.42 -23.68 32.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.61 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -86.04 -18.74 31.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.526 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -86.37 -15.52 40.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.585 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.621 ' O ' ' CG1' ' A' ' 83' ' ' VAL . 7.4 p -89.36 82.89 2.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.562 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.413 ' O ' ' O ' ' A' ' 83' ' ' VAL . 53.7 p-10 -40.81 162.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.531 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 64.1 p -119.51 119.66 34.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.599 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 55.7 p-10 -148.24 -0.85 0.57 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.535 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.484 ' HG ' ' H ' ' A' ' 90' ' ' GLU . 34.1 t -175.31 87.79 0.3 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.548 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.507 ' O ' ' CB ' ' A' ' 92' ' ' PHE . 35.2 Cg_endo -67.89 -16.47 45.67 Favored 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.772 2.315 . . . . 0.0 112.11 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 15.0 ptt-85 -85.15 -35.12 21.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.497 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.484 ' H ' ' HG ' ' A' ' 87' ' ' SER . 94.8 mt-10 -78.16 -58.07 3.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.507 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.477 ' CG1' ' N ' ' A' ' 92' ' ' PHE . 9.5 p -56.96 -51.55 67.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.524 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.507 ' CB ' ' O ' ' A' ' 88' ' ' PRO . 85.6 t80 -45.75 -52.57 10.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.517 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -67.63 -30.51 70.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.541 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.708 ' NE ' ' HE1' ' A' ' 188' ' ' TRP . 20.1 ttp180 -71.32 -57.81 4.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.597 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.447 ' CG2' ' N ' ' A' ' 96' ' ' ALA . 28.4 m -59.67 -48.13 88.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.52 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.447 ' N ' ' CG2' ' A' ' 95' ' ' VAL . . . -54.93 -27.69 45.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.573 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -81.92 -38.87 24.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.513 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.41 ' O ' ' C ' ' A' ' 99' ' ' MET . 99.8 m-20 -63.09 -38.8 92.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.54 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' MET . . . . . 0.5 ' HB2' HH21 ' A' ' 109' ' ' ARG . 64.1 mtt -38.24 -69.0 0.13 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.548 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.604 ' CD2' ' O ' ' A' ' 100' ' ' PHE . 16.6 p90 -111.17 57.55 0.62 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.56 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.3 t -74.68 -26.73 60.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.665 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . 0.532 ' O ' ' C ' ' A' ' 103' ' ' GLY . 54.9 p-10 -155.67 -18.37 0.11 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.508 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.532 ' C ' ' O ' ' A' ' 102' ' ' ASP . . . -26.25 -80.73 0.01 OUTLIER Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . 0.606 ' O ' ' CG ' ' A' ' 105' ' ' PHE . 28.5 t-20 174.53 34.34 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.789 0.328 . . . . 0.0 110.631 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.606 ' CG ' ' O ' ' A' ' 104' ' ' ASN . 28.9 p90 42.72 29.09 0.15 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.533 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.546 ' CG ' ' H ' ' A' ' 107' ' ' TRP . 28.0 p30 -52.07 -110.51 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.566 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' TRP . . . . . 0.546 ' H ' ' CG ' ' A' ' 106' ' ' ASN . 6.6 t90 174.6 -26.15 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.554 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . 0.437 ' O ' HG13 ' A' ' 111' ' ' VAL . . . -50.2 -42.1 40.2 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . 0.5 HH21 ' HB2' ' A' ' 99' ' ' MET . 0.0 OUTLIER -48.04 -26.1 1.68 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.858 0.361 . . . . 0.0 110.645 179.928 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.478 ' N ' ' HD3' ' A' ' 109' ' ' ARG . 37.0 t -52.58 -57.94 3.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.514 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.554 ' CG1' ' N ' ' A' ' 112' ' ' ALA . 4.7 p -45.29 -46.76 3.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.529 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.554 ' N ' ' CG1' ' A' ' 111' ' ' VAL . . . -58.16 -34.83 70.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.574 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 1.9 tt -57.04 -46.78 82.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.578 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -57.26 -44.03 83.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.538 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 92.6 t80 -68.01 -43.46 78.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.538 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 92.7 t80 -59.23 -41.7 89.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.504 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -71.13 -32.45 69.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.583 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 4.9 t -48.75 -44.09 38.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.561 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.814 ' O ' ' CB ' ' A' ' 123' ' ' LYS . 55.1 mmtt -60.09 -43.49 95.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.529 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 52.3 mt -68.26 -30.84 69.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.552 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.408 ' O ' ' CD1' ' A' ' 133' ' ' ILE . 55.8 t -77.63 -53.32 14.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.474 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 71.0 mt -73.03 -40.74 64.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.546 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.814 ' CB ' ' O ' ' A' ' 119' ' ' LYS . 39.5 tptt -58.36 -41.21 84.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.507 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.455 ' O ' ' OG1' ' A' ' 127' ' ' THR . . . -75.69 -20.75 58.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.502 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 15.0 tp -64.39 -30.62 71.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.573 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 36.3 t -84.29 -36.26 22.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.585 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' THR . . . . . 0.557 ' O ' ' CB ' ' A' ' 128' ' ' LYS . 41.1 p -54.15 -16.73 2.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.471 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.557 ' CB ' ' O ' ' A' ' 127' ' ' THR . 72.3 tttt 84.84 46.62 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.531 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . 0.553 ' CG2' ' OG1' ' A' ' 127' ' ' THR . 0.2 OUTLIER -148.3 87.56 5.64 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.519 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . 0.472 ' HB3' ' OE1' ' A' ' 44' ' ' GLU . 38.3 Cg_endo -69.98 -15.04 36.12 Favored 'Trans proline' 0 C--N 1.305 -1.734 0 C-N-CA 122.782 2.321 . . . . 0.0 112.027 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . 0.492 ' O ' HG23 ' A' ' 135' ' ' THR . 80.9 tt0 -64.07 -41.59 97.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.467 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.532 ' HA ' ' OG1' ' A' ' 135' ' ' THR . 8.5 mp -60.5 -34.16 73.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.549 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . 0.419 HD13 HG21 ' A' ' 133' ' ' ILE . 21.0 mm -56.85 -50.07 76.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.535 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 83.9 mtp180 -69.18 -34.87 75.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.505 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' THR . . . . . 0.532 ' OG1' ' HA ' ' A' ' 132' ' ' LEU . 70.8 p -67.19 -31.94 72.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.546 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 45.7 mt -69.67 -58.83 4.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.519 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 71.9 mtp -46.53 -25.53 0.7 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.527 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -68.61 -40.49 85.9 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' TRP . . . . . 0.509 ' CD1' ' N ' ' A' ' 139' ' ' TRP . 8.5 m0 -66.38 -24.47 66.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.78 0.324 . . . . 0.0 110.54 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' THR . . . . . 0.511 ' OG1' ' N ' ' A' ' 141' ' ' LEU . 13.4 p -75.49 -65.83 0.85 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.531 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . 0.511 ' N ' ' OG1' ' A' ' 140' ' ' THR . 53.1 mt -51.87 -33.57 37.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.587 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -65.71 -51.05 62.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.57 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . 0.499 ' O ' ' HB2' ' A' ' 147' ' ' ARG . 37.1 t80 -66.9 -38.89 87.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.499 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 2.0 tp -71.07 -35.46 71.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.58 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 59.0 ttp180 -83.04 -10.64 58.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.616 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -111.98 -4.67 14.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.575 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . 1.153 ' O ' ' N ' ' A' ' 149' ' ' LEU . 7.8 mtp180 -142.15 -110.95 0.13 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.636 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . 0.698 ' O ' ' N ' ' A' ' 152' ' ' ILE . 1.0 OUTLIER -15.38 -27.78 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.604 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . 1.153 ' N ' ' O ' ' A' ' 147' ' ' ARG . 57.9 tp -49.01 -56.29 9.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.604 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -63.96 -50.65 59.39 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 151' ' ' TRP . . . . . . . . . . . . . 99.9 m95 -66.24 -55.81 14.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.803 0.335 . . . . 0.0 110.61 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 152' ' ' ILE . . . . . 0.698 ' N ' ' O ' ' A' ' 148' ' ' LEU . 10.5 tt -51.22 -34.45 14.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.589 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . 0.506 ' HG2' ' O ' ' A' ' 14' ' ' THR . 51.4 mt-30 -67.41 -31.33 71.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.543 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -88.96 -4.61 58.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.584 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -97.45 0.83 48.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.562 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 83.65 24.67 49.26 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 89.82 -160.31 28.64 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . 54.4 m95 -74.02 -5.53 41.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.784 0.326 . . . . 0.0 110.529 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -60.92 -42.52 98.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.538 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -54.39 -32.2 51.84 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 2.0 tt -62.95 -54.0 45.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.772 0.32 . . . . 0.0 110.584 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 48.3 tp -67.12 -30.98 71.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.577 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 21.2 t -66.84 -26.31 66.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.521 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 164' ' ' TYR . . . . . 0.421 ' C ' ' H ' ' A' ' 166' ' ' GLY . 93.5 t80 -76.6 -42.68 41.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.571 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -71.62 48.15 0.14 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.478 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 166' ' ' GLY . . . . . 0.421 ' H ' ' C ' ' A' ' 164' ' ' TYR . . . -131.34 39.32 1.79 Allowed Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 167' ' ' THR . . . . . 1.047 ' OG1' ' HD2' ' A' ' 168' ' ' PRO . 0.6 OUTLIER -108.66 179.5 0.84 Allowed Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 120.832 0.348 . . . . 0.0 110.597 179.901 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 168' ' ' PRO . . . . . 1.047 ' HD2' ' OG1' ' A' ' 167' ' ' THR . 47.2 Cg_endo -72.31 -146.47 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.743 0 C-N-CA 122.862 2.375 . . . . 0.0 112.069 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 169' ' ' THR . . . . . 0.594 ' C ' ' O ' ' A' ' 168' ' ' PRO . 67.2 p -22.84 102.2 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.507 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 170' ' ' TRP . . . . . 0.618 ' O ' HG23 ' A' ' 173' ' ' VAL . 34.3 p90 -65.33 -18.61 65.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.563 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 171' ' ' GLN . . . . . . . . . . . . . 4.5 pp0? -46.96 -14.2 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.598 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 172' ' ' THR . . . . . 0.503 ' H ' ' C ' ' A' ' 170' ' ' TRP . 4.8 m -86.93 -29.55 22.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.587 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 173' ' ' VAL . . . . . 0.618 HG23 ' O ' ' A' ' 170' ' ' TRP . 2.0 m -72.15 -45.67 61.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.551 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 174' ' ' THR . . . . . 0.564 ' N ' ' CG2' ' A' ' 173' ' ' VAL . 24.9 m -64.58 -24.92 67.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.578 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 175' ' ' ILE . . . . . 0.427 HG23 ' O ' ' A' ' 172' ' ' THR . 1.7 tt -85.82 -7.38 10.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.551 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 176' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -94.7 -60.04 1.79 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.593 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 3.2 m -62.13 -16.71 16.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.597 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 178' ' ' ALA . . . . . 0.636 ' O ' ' OG1' ' A' ' 182' ' ' THR . . . -95.51 -45.9 6.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.606 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -62.36 -26.19 67.67 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 180' ' ' VAL . . . . . 0.519 ' CG1' ' N ' ' A' ' 181' ' ' LEU . 13.8 p -86.21 -51.73 12.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.848 0.356 . . . . 0.0 110.606 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . 0.519 ' N ' ' CG1' ' A' ' 180' ' ' VAL . 43.5 tp -69.34 -47.97 62.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.543 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 182' ' ' THR . . . . . 0.636 ' OG1' ' O ' ' A' ' 178' ' ' ALA . 25.4 m -50.47 -51.43 47.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.619 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -47.31 -45.68 24.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.566 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 184' ' ' SER . . . . . . . . . . . . . 27.6 t -54.48 -37.93 65.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.494 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 60.3 mt -77.56 -21.76 52.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.613 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 21.5 m -73.22 -44.84 58.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.574 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 187' ' ' ILE . . . . . 0.508 ' O ' ' C ' ' A' ' 188' ' ' TRP . 12.5 tt -73.69 -51.7 23.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.547 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 188' ' ' TRP . . . . . 0.708 ' HE1' ' NE ' ' A' ' 94' ' ' ARG . 6.2 t90 -30.72 -56.98 0.21 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.573 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 7.5 mmtt -175.68 128.35 0.25 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.569 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 190' ' ' LYS . . . . . . . . . . . . . 14.7 ptmt -109.95 89.48 3.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.536 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 191' ' ' MET . . . . . . . . . . . . . 84.0 mtp -128.56 136.62 51.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.591 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.763 0 CA-C-O 118.002 -1.443 . . . . 0.0 110.93 -179.994 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 130' ' ' CYS . . . . . 0.511 ' O ' ' SG ' ' B' ' 130' ' ' CYS . 2.1 t . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 131' ' ' GLU . . . . . 0.714 ' O ' ' O ' ' B' ' 132' ' ' ALA . 84.7 tt0 -103.67 149.66 24.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.559 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 132' ' ' ALA . . . . . 0.714 ' O ' ' O ' ' B' ' 131' ' ' GLU . . . 44.66 164.76 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.641 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 51.2 mt -92.45 104.65 16.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.53 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 134' ' ' LYS . . . . . . . . . . . . . 36.6 ttpt -59.96 -42.85 94.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.61 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 135' ' ' LYS . . . . . . . . . . . . . 99.8 mttt -92.05 154.78 18.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.572 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 136' ' ' ALA . . . . . . . . . . . . . . . 73.58 45.44 0.25 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.546 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 137' ' ' LEU . . . . . 0.401 ' C ' ' NH2' ' B' ' 141' ' ' ARG . 66.5 mt -81.99 -162.57 0.56 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.47 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 138' ' ' ARG . . . . . 0.493 ' N ' ' NH2' ' B' ' 141' ' ' ARG . 17.7 ptm180 -68.24 -5.95 21.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.572 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 139' ' ' ARG . . . . . . . . . . . . . 90.6 mtm180 -62.78 -44.78 95.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.557 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 140' ' ' HIS . . . . . 0.761 ' O ' ' N ' ' B' ' 143' ' ' LEU . 71.2 m80 -79.06 -66.7 0.83 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.471 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 141' ' ' ARG . . . . . 0.493 ' NH2' ' N ' ' B' ' 138' ' ' ARG . 94.0 mtm-85 -32.43 -31.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.473 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 142' ' ' PHE . . . . . 0.602 ' N ' ' O ' ' B' ' 140' ' ' HIS . 22.8 m-85 -93.6 -28.42 16.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.422 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 143' ' ' LEU . . . . . 0.761 ' N ' ' O ' ' B' ' 140' ' ' HIS . 34.9 tp -59.94 -33.21 71.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.568 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 144' ' ' TRP . . . . . 0.475 ' O ' ' C ' ' B' ' 145' ' ' GLN . 65.2 t-105 -87.24 -54.92 4.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.586 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 145' ' ' GLN . . . . . 0.475 ' C ' ' O ' ' B' ' 144' ' ' TRP . 46.8 tt0 -34.28 -70.98 0.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.517 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 146' ' ' ARG . . . . . 0.486 ' NE ' ' O ' ' B' ' 143' ' ' LEU . 99.8 mtt180 46.17 21.72 0.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.539 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 147' ' ' ARG . . . . . 0.459 ' H ' ' HG2' ' B' ' 145' ' ' GLN . 29.3 mmt180 46.86 22.1 0.18 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.58 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 148' ' ' GLN . . . . . . . . . . . . . 59.2 tp60 -77.92 137.06 38.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.565 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 44.1 ttm180 -138.76 138.98 38.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.512 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 150' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.482 0 CA-C-O 118.049 -0.977 . . . . 0.0 110.522 -179.939 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.44 ' H2 ' ' H ' ' A' ' 2' ' ' ASP . 9.3 ptt? . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.825 ' OD1' ' N ' ' A' ' 3' ' ' GLY . 49.3 p-10 -52.89 -64.57 0.77 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.506 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.825 ' N ' ' OD1' ' A' ' 2' ' ' ASP . . . 92.43 -42.22 2.72 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.5 m -149.88 -41.6 0.14 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.738 0.304 . . . . 0.0 110.615 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 179.13 -135.89 2.69 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 1.03 ' O ' ' HB3' ' A' ' 7' ' ' GLN . 8.4 tp10 -134.8 103.84 5.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.733 0.301 . . . . 0.0 110.62 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 1.03 ' HB3' ' O ' ' A' ' 6' ' ' GLU . 6.9 tt0 106.33 37.71 0.0 OUTLIER Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.65 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.714 ' CD ' ' N ' ' A' ' 7' ' ' GLN . 49.6 Cg_endo -72.67 104.12 1.68 Allowed 'Trans proline' 0 C--N 1.306 -1.71 0 C-N-CA 122.722 2.281 . . . . 0.0 112.074 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 47.6 mtp180 -62.29 151.33 36.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.54 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 1.311 ' O ' ' N ' ' A' ' 12' ' ' GLY . . . -109.8 -36.43 2.04 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.67 ' C ' ' O ' ' A' ' 10' ' ' GLY . . . -9.0 -25.34 0.0 OUTLIER Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 1.311 ' N ' ' O ' ' A' ' 10' ' ' GLY . . . -124.01 111.86 1.71 Allowed Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.581 ' O ' ' C ' ' A' ' 14' ' ' THR . 51.7 Cg_exo -47.78 -76.65 0.03 OUTLIER 'Trans proline' 0 C--N 1.305 -1.733 0 C-N-CA 122.812 2.341 . . . . 0.0 112.075 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.581 ' C ' ' O ' ' A' ' 13' ' ' PRO . 34.5 p -23.82 90.69 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.674 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.995 ' O ' HD11 ' A' ' 19' ' ' ILE . 3.3 p -117.92 -150.07 0.45 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.441 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.493 ' H ' ' HB2' ' A' ' 15' ' ' SER . 23.3 m -95.52 -15.41 22.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.416 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 69.2 mm-40 -78.18 -49.65 13.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.539 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.483 ' CD ' ' O ' ' A' ' 18' ' ' GLN . 3.5 tm0? -66.63 -23.6 66.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.566 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.995 HD11 ' O ' ' A' ' 15' ' ' SER . 72.4 mt -81.52 -55.2 8.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.641 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.457 ' SD ' ' C ' ' A' ' 20' ' ' MET . 12.9 tmm? -53.11 -36.79 61.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.607 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 64.3 mmtt -67.15 -46.08 75.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.552 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 32.9 m -72.39 -8.1 53.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.528 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -79.41 -53.91 4.21 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.87 ' O ' ' HB3' ' A' ' 28' ' ' GLN . . . -78.33 -9.37 59.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.767 0.317 . . . . 0.0 110.473 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.549 ' O ' ' C ' ' A' ' 26' ' ' LEU . 4.7 tt -86.62 -80.82 0.23 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.58 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.549 ' C ' ' O ' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -26.83 -65.69 0.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.563 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.42 ' C ' ' N ' ' A' ' 29' ' ' GLY . 10.9 mp -51.25 -57.78 7.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.654 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.87 ' HB3' ' O ' ' A' ' 24' ' ' ALA . 0.4 OUTLIER -47.64 -17.78 0.11 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.536 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.541 ' O ' ' N ' ' A' ' 31' ' ' ILE . . . -88.81 -72.8 1.28 Allowed Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 44.8 t80 -42.17 -18.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.787 0.327 . . . . 0.0 110.535 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.541 ' N ' ' O ' ' A' ' 29' ' ' GLY . 90.8 mt -76.97 -69.2 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.547 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.526 ' CD ' ' O ' ' A' ' 32' ' ' GLN . 5.4 pp0? -78.88 29.98 0.2 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.554 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.451 ' H ' ' C ' ' A' ' 31' ' ' ILE . 67.9 t0 -112.96 -50.96 2.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.598 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.421 ' NH2' ' OD2' ' A' ' 71' ' ' ASP . 16.0 ptm180 -91.4 -26.86 18.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.538 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -99.11 -12.96 20.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.603 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -89.55 94.71 2.02 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.911 -0.875 . . . . 0.0 110.911 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -143.5 -49.54 0.31 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.761 0.315 . . . . 0.0 110.548 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 77.7 mtm -85.8 146.26 26.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.545 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 81.42 -114.25 3.79 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.845 -0.902 . . . . 0.0 110.845 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 97.85 -15.73 61.31 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -85.92 -10.82 54.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.761 0.315 . . . . 0.0 110.572 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -160.58 72.59 2.87 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.509 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -69.49 133.09 25.21 Favored 'Trans proline' 0 C--N 1.305 -1.762 0 C-N-CA 122.792 2.328 . . . . 0.0 112.061 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.676 ' OE1' ' N ' ' A' ' 44' ' ' GLU . 40.5 mp0 -74.8 -14.98 60.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.612 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.443 HD21 ' CG ' ' A' ' 32' ' ' GLN . 25.2 tp -90.82 63.99 5.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.533 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -78.16 133.95 37.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.529 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.418 ' O ' ' HB3' ' A' ' 48' ' ' ASP . 0.8 OUTLIER -172.24 -73.87 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.53 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.418 ' HB3' ' O ' ' A' ' 47' ' ' LEU . 8.6 p30 170.57 66.08 0.02 OUTLIER Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.589 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo -70.36 108.89 2.29 Favored 'Trans proline' 0 C--N 1.304 -1.795 0 C-N-CA 122.791 2.327 . . . . 0.0 112.1 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.474 HG23 ' HG2' ' A' ' 52' ' ' GLN . 27.2 m -148.61 139.72 13.8 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.481 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -49.5 -59.45 1.22 Allowed 'Trans proline' 0 C--N 1.306 -1.698 0 C-N-CA 122.766 2.311 . . . . 0.0 112.089 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.474 ' HG2' HG23 ' A' ' 50' ' ' VAL . 14.7 mm100 52.39 -127.17 2.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.604 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -79.38 142.28 36.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.598 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -80.76 -1.43 42.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.568 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 98.3 p -58.28 -40.28 81.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.597 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -80.46 -34.14 36.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.57 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -50.61 -54.77 20.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.554 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 30.4 ttpt -60.04 -47.61 85.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.609 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.4 ' CD2' ' O ' ' A' ' 59' ' ' LEU . 0.9 OUTLIER -62.01 -26.47 68.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.64 179.907 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.5 t -71.13 -35.53 71.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.642 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -63.66 -31.83 73.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.563 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 99.8 m -64.12 -37.95 89.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.6 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.416 ' CD1' ' N ' ' A' ' 63' ' ' LEU . 9.5 mp -75.17 -24.83 57.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.511 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -84.12 -36.62 22.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.663 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.429 ' O ' ' OE2' ' A' ' 69' ' ' GLU . 95.0 mtt180 -68.56 -44.43 74.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.588 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 21.0 tt -76.49 -35.08 25.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.567 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.425 ' O ' ' CB ' ' A' ' 71' ' ' ASP . . . -61.14 -45.21 97.01 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.437 ' OD1' ' O ' ' A' ' 68' ' ' ASP . 68.2 t0 -62.87 -34.34 77.18 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.764 0.316 . . . . 0.0 110.495 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.534 ' OE1' ' N ' ' A' ' 69' ' ' GLU . 0.3 OUTLIER -79.65 -58.39 3.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.604 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.25 -43.03 74.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.568 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.425 ' CB ' ' O ' ' A' ' 67' ' ' GLY . 53.7 t0 -65.02 -8.78 17.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.59 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.6 t -96.44 7.09 47.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.554 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -92.98 111.46 23.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.595 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 64.3 mtt -68.28 -11.3 59.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.542 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -80.27 -67.3 0.78 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.59 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 7.6 tp -59.76 -40.36 87.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.552 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 10.8 tm0? -61.69 -38.03 86.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.521 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 76.1 ttt180 -68.52 -44.89 73.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.51 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 73.2 mtp -54.57 -43.88 72.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.529 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.514 ' O ' HG12 ' A' ' 83' ' ' VAL . 82.1 mt -62.39 -23.68 32.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.582 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -86.04 -18.69 31.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.584 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -86.51 -15.35 40.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.538 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.617 ' O ' ' CG1' ' A' ' 83' ' ' VAL . 7.8 p -89.47 82.74 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.623 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.422 ' O ' ' O ' ' A' ' 83' ' ' VAL . 56.9 p-10 -40.51 162.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.594 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 37.9 p -119.79 119.77 34.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.613 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -148.53 -0.59 0.55 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.48 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.4 ' O ' HG11 ' A' ' 91' ' ' VAL . 46.0 t -175.4 87.45 0.3 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.544 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.496 ' O ' ' CB ' ' A' ' 92' ' ' PHE . 35.0 Cg_endo -67.85 -15.74 44.51 Favored 'Trans proline' 0 C--N 1.306 -1.685 0 C-N-CA 122.794 2.33 . . . . 0.0 112.12 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 33.9 ptt-85 -85.4 -35.96 20.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.548 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -77.55 -58.58 3.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.533 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.485 ' CG1' ' N ' ' A' ' 92' ' ' PHE . 10.5 p -56.05 -51.87 56.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.543 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.496 ' CB ' ' O ' ' A' ' 88' ' ' PRO . 84.5 t80 -45.66 -52.65 10.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.454 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -67.61 -30.56 70.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.586 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 10.8 tpp85 -71.33 -57.96 3.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.549 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.447 ' CG2' ' N ' ' A' ' 96' ' ' ALA . 27.9 m -59.36 -48.2 87.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.493 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.447 ' N ' ' CG2' ' A' ' 95' ' ' VAL . . . -54.98 -27.6 45.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.614 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -81.96 -38.89 24.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.502 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.41 ' O ' ' C ' ' A' ' 99' ' ' MET . 99.7 m-20 -63.15 -38.67 92.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.554 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' MET . . . . . 0.496 ' HB2' HH21 ' A' ' 109' ' ' ARG . 64.7 mtt -38.45 -68.87 0.14 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.539 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.597 ' CD2' ' O ' ' A' ' 100' ' ' PHE . 17.3 p90 -111.23 57.6 0.62 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.623 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.2 t -74.71 -26.78 60.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.587 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . 0.535 ' O ' ' C ' ' A' ' 103' ' ' GLY . 55.5 p-10 -155.58 -18.43 0.11 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.593 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.535 ' C ' ' O ' ' A' ' 102' ' ' ASP . . . -26.3 -80.68 0.01 OUTLIER Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . 0.606 ' O ' ' CG ' ' A' ' 105' ' ' PHE . 11.5 m-20 174.49 34.36 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.821 0.343 . . . . 0.0 110.598 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.606 ' CG ' ' O ' ' A' ' 104' ' ' ASN . 26.6 p90 42.69 29.13 0.15 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.507 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.546 ' CG ' ' H ' ' A' ' 107' ' ' TRP . 28.8 p30 -52.13 -110.49 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.565 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' TRP . . . . . 0.546 ' H ' ' CG ' ' A' ' 106' ' ' ASN . 6.4 t90 174.64 -26.19 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.576 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . 0.436 ' O ' HG13 ' A' ' 111' ' ' VAL . . . -50.11 -42.14 39.51 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.876 -0.89 . . . . 0.0 110.876 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . 0.496 HH21 ' HB2' ' A' ' 99' ' ' MET . 0.0 OUTLIER -48.14 -26.01 1.71 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.782 0.325 . . . . 0.0 110.58 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.472 ' N ' ' HD3' ' A' ' 109' ' ' ARG . 35.0 t -52.63 -57.89 3.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.583 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.556 ' CG1' ' N ' ' A' ' 112' ' ' ALA . 4.7 p -45.19 -46.83 3.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.573 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.556 ' N ' ' CG1' ' A' ' 111' ' ' VAL . . . -57.97 -35.22 70.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.525 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 1.9 tt -56.8 -46.79 81.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.498 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.451 ' CZ ' ' CG1' ' A' ' 110' ' ' VAL . 9.8 m-85 -57.18 -44.05 83.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.556 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 92.5 t80 -68.02 -43.67 78.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.499 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 93.2 t80 -59.01 -41.94 88.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.509 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -70.88 -32.59 69.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.566 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 4.8 t -48.63 -44.31 37.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.516 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.821 ' O ' ' CB ' ' A' ' 123' ' ' LYS . 54.5 mmtt -59.91 -43.57 94.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.545 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 54.0 mt -68.11 -31.22 70.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.517 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.404 ' O ' ' CD1' ' A' ' 133' ' ' ILE . 54.6 t -77.16 -53.58 14.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.545 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 70.2 mt -72.87 -40.9 65.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.558 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.821 ' CB ' ' O ' ' A' ' 119' ' ' LYS . 88.8 tttt -58.12 -40.98 82.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.612 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -75.83 -21.66 57.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.594 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 42.5 tp -63.18 -32.2 73.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.613 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . 0.461 ' SG ' ' N ' ' A' ' 127' ' ' THR . 14.4 p -83.53 -35.26 24.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.616 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' THR . . . . . 0.777 ' O ' ' HB2' ' A' ' 128' ' ' LYS . 55.3 m -53.81 -19.07 3.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.584 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.777 ' HB2' ' O ' ' A' ' 127' ' ' THR . 50.8 mtpt 87.52 45.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.625 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 14.4 m -148.3 88.46 5.4 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.589 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -70.21 -14.72 34.99 Favored 'Trans proline' 0 C--N 1.306 -1.678 0 C-N-CA 122.783 2.322 . . . . 0.0 112.069 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . 0.479 ' O ' HG23 ' A' ' 135' ' ' THR . 81.1 tt0 -64.11 -41.66 97.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.563 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.54 ' HA ' ' OG1' ' A' ' 135' ' ' THR . 9.0 mp -60.42 -34.11 73.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.544 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . 0.404 ' CD1' ' O ' ' A' ' 121' ' ' VAL . 21.0 mm -56.81 -50.1 76.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.506 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 89.1 mtm180 -69.17 -34.83 75.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.436 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' THR . . . . . 0.54 ' OG1' ' HA ' ' A' ' 132' ' ' LEU . 62.5 p -67.16 -32.09 72.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.508 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 44.8 mt -69.62 -58.99 4.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.494 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' MET . . . . . 0.425 ' O ' ' OG1' ' A' ' 140' ' ' THR . 53.1 ttm -46.35 -25.49 0.65 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.527 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -68.74 -40.48 85.28 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' TRP . . . . . 0.507 ' CD1' ' N ' ' A' ' 139' ' ' TRP . 10.0 m0 -66.31 -24.4 66.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.845 0.355 . . . . 0.0 110.585 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' THR . . . . . 0.47 ' OG1' ' N ' ' A' ' 141' ' ' LEU . 22.5 p -75.54 -65.86 0.85 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.526 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . 0.47 ' N ' ' OG1' ' A' ' 140' ' ' THR . 51.2 mt -51.74 -33.64 35.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.615 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -65.77 -51.01 62.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.537 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . 0.444 ' O ' ' HB2' ' A' ' 147' ' ' ARG . 5.7 t80 -66.8 -38.93 87.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.567 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 1.6 tp -70.98 -35.57 72.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.596 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 59.1 ttp180 -83.03 -10.61 58.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.592 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -112.03 -4.67 14.42 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.527 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . 1.154 ' O ' ' N ' ' A' ' 149' ' ' LEU . 12.2 mtp180 -142.14 -110.93 0.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.55 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . 0.697 ' O ' ' N ' ' A' ' 152' ' ' ILE . 1.0 OUTLIER -15.28 -27.81 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.539 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . 1.154 ' N ' ' O ' ' A' ' 147' ' ' ARG . 47.1 tp -49.07 -56.36 9.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.541 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -63.91 -50.59 59.88 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 151' ' ' TRP . . . . . . . . . . . . . 8.8 m95 -66.24 -55.82 14.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.79 0.329 . . . . 0.0 110.581 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 152' ' ' ILE . . . . . 0.697 ' N ' ' O ' ' A' ' 148' ' ' LEU . 10.3 tt -51.42 -34.24 15.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.546 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . 0.414 ' N ' HG22 ' A' ' 152' ' ' ILE . 56.4 tt0 -67.47 -31.23 71.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.593 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -89.25 -4.4 58.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.544 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -97.55 0.74 47.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.536 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 83.77 24.63 48.92 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 89.84 -160.32 28.61 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 158' ' ' TRP . . . . . 0.416 ' HE1' HG21 ' A' ' 19' ' ' ILE . 31.7 m95 -73.99 -5.6 42.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.829 0.347 . . . . 0.0 110.561 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -60.93 -42.42 98.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.578 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -54.37 -32.2 51.74 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 2.1 tt -63.01 -53.98 45.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.755 0.312 . . . . 0.0 110.547 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 50.4 tp -67.19 -31.0 71.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.532 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 20.8 t -66.83 -26.21 66.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.542 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 164' ' ' TYR . . . . . 0.423 ' C ' ' H ' ' A' ' 166' ' ' GLY . 91.7 t80 -76.71 -42.66 40.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.565 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -71.58 47.89 0.14 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.574 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 166' ' ' GLY . . . . . 0.423 ' H ' ' C ' ' A' ' 164' ' ' TYR . . . -130.84 39.01 1.85 Allowed Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 167' ' ' THR . . . . . 1.013 ' OG1' ' HD2' ' A' ' 168' ' ' PRO . 0.6 OUTLIER -108.39 179.26 0.89 Allowed Pre-proline 0 C--N 1.33 -0.242 0 CA-C-O 120.917 0.389 . . . . 0.0 110.511 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 168' ' ' PRO . . . . . 1.013 ' HD2' ' OG1' ' A' ' 167' ' ' THR . 48.3 Cg_endo -72.5 -145.8 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 122.89 2.393 . . . . 0.0 112.052 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 169' ' ' THR . . . . . 0.589 ' C ' ' O ' ' A' ' 168' ' ' PRO . 18.3 p -23.1 101.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.569 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 170' ' ' TRP . . . . . 0.619 ' O ' HG23 ' A' ' 173' ' ' VAL . 33.3 p90 -64.97 -18.57 65.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.566 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 171' ' ' GLN . . . . . 0.537 ' NE2' ' OG1' ' A' ' 172' ' ' THR . 5.4 pp0? -47.25 -14.07 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.579 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 172' ' ' THR . . . . . 0.537 ' OG1' ' NE2' ' A' ' 171' ' ' GLN . 5.1 m -87.02 -29.5 21.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.587 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 173' ' ' VAL . . . . . 0.619 HG23 ' O ' ' A' ' 170' ' ' TRP . 2.0 m -72.1 -45.69 61.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.552 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 174' ' ' THR . . . . . 0.567 ' N ' ' CG2' ' A' ' 173' ' ' VAL . 24.9 m -64.52 -24.9 67.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.544 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 175' ' ' ILE . . . . . 0.42 ' O ' ' CG2' ' A' ' 175' ' ' ILE . 89.1 mt -85.78 -7.48 10.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.502 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 176' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -94.74 -59.98 1.8 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.559 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 3.2 m -62.11 -16.78 16.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.554 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 178' ' ' ALA . . . . . 0.633 ' O ' ' OG1' ' A' ' 182' ' ' THR . . . -95.54 -45.89 6.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.568 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -62.28 -26.22 67.57 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 180' ' ' VAL . . . . . 0.519 ' CG1' ' N ' ' A' ' 181' ' ' LEU . 13.6 p -86.21 -51.72 12.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.779 0.323 . . . . 0.0 110.6 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . 0.519 ' N ' ' CG1' ' A' ' 180' ' ' VAL . 43.2 tp -69.32 -47.98 62.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.598 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 182' ' ' THR . . . . . 0.633 ' OG1' ' O ' ' A' ' 178' ' ' ALA . 25.8 m -50.49 -51.39 47.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.56 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -47.36 -45.71 25.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.58 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 184' ' ' SER . . . . . . . . . . . . . 27.9 t -54.42 -37.92 65.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.596 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 64.0 mt -77.57 -21.74 52.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.595 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 186' ' ' THR . . . . . 0.483 ' O ' ' CG ' ' A' ' 190' ' ' LYS . 90.8 m -73.17 -44.89 59.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.581 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 187' ' ' ILE . . . . . 0.505 ' O ' ' C ' ' A' ' 188' ' ' TRP . 12.4 tt -73.7 -51.65 24.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.581 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 188' ' ' TRP . . . . . 0.505 ' C ' ' O ' ' A' ' 187' ' ' ILE . 0.2 OUTLIER -30.72 -56.95 0.21 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.563 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 8.0 mmtt -175.76 128.31 0.24 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.597 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 190' ' ' LYS . . . . . 0.483 ' CG ' ' O ' ' A' ' 186' ' ' THR . 42.6 mtmt -109.94 89.6 3.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.508 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 191' ' ' MET . . . . . . . . . . . . . 84.2 mtp -128.59 136.57 50.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.563 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.731 0 CA-C-O 117.981 -1.455 . . . . 0.0 110.968 179.985 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 130' ' ' CYS . . . . . 0.811 ' SG ' ' N ' ' B' ' 131' ' ' GLU . 17.4 p . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 131' ' ' GLU . . . . . 0.811 ' N ' ' SG ' ' B' ' 130' ' ' CYS . 40.9 tp10 -65.42 -55.23 19.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.553 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . 72.63 -174.9 0.16 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.534 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 46.8 mt -88.86 79.28 7.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.538 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 134' ' ' LYS . . . . . . . . . . . . . 36.3 ttmt -66.87 -42.05 86.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.604 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 135' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -65.07 -43.59 91.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.571 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 136' ' ' ALA . . . . . . . . . . . . . . . 68.09 -140.71 0.11 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.631 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 57.8 mt -102.94 101.42 11.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.547 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 138' ' ' ARG . . . . . 0.482 ' O ' ' HB2' ' B' ' 142' ' ' PHE . 87.1 mtm180 -65.95 -36.11 82.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.585 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 139' ' ' ARG . . . . . . . . . . . . . 60.8 ttp180 -60.43 -44.35 95.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.583 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 140' ' ' HIS . . . . . 0.691 ' O ' ' N ' ' B' ' 143' ' ' LEU . 74.2 t60 -79.16 -66.44 0.87 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.558 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 141' ' ' ARG . . . . . 0.464 ' C ' ' O ' ' B' ' 140' ' ' HIS . 40.7 ttm180 -33.96 -31.99 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.529 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 142' ' ' PHE . . . . . 0.552 ' N ' ' O ' ' B' ' 140' ' ' HIS . 15.0 m-85 -91.81 -29.39 16.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.541 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 143' ' ' LEU . . . . . 0.691 ' N ' ' O ' ' B' ' 140' ' ' HIS . 51.1 tp -58.91 -34.25 71.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.631 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 144' ' ' TRP . . . . . 0.437 ' O ' ' C ' ' B' ' 145' ' ' GLN . 64.0 t-105 -85.96 -53.74 4.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.568 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 145' ' ' GLN . . . . . 0.437 ' C ' ' O ' ' B' ' 144' ' ' TRP . 49.8 tt0 -35.42 -69.09 0.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.648 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 146' ' ' ARG . . . . . . . . . . . . . 77.6 mtp85 -72.26 138.19 47.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.664 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 147' ' ' ARG . . . . . . . . . . . . . 66.7 ttp85 -141.94 91.05 2.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.54 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 148' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 -97.38 -84.3 0.38 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.643 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -72.58 -35.8 68.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.608 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 150' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 118.038 -0.982 . . . . 0.0 110.585 179.929 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.447 ' H2 ' ' H ' ' A' ' 2' ' ' ASP . 11.5 ptt? . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.761 ' OD1' ' N ' ' A' ' 3' ' ' GLY . 46.6 p30 -51.37 -47.76 62.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.662 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.761 ' N ' ' OD1' ' A' ' 2' ' ' ASP . . . 84.68 -91.48 1.68 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 18.0 m -143.21 -34.07 0.43 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.832 0.349 . . . . 0.0 110.589 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -158.8 -150.91 5.93 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.779 ' O ' ' CB ' ' A' ' 7' ' ' GLN . 5.3 tp10 -138.91 113.15 8.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.788 0.328 . . . . 0.0 110.508 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.881 ' N ' ' CD ' ' A' ' 8' ' ' PRO . 3.9 tp60 109.25 24.64 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.542 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.881 ' CD ' ' N ' ' A' ' 7' ' ' GLN . 55.2 Cg_endo -73.4 143.49 34.97 Favored 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.807 2.338 . . . . 0.0 112.161 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 59.2 mtp180 -120.59 106.58 11.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.681 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.574 ' O ' ' N ' ' A' ' 12' ' ' GLY . . . 172.87 44.47 0.04 OUTLIER Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 10' ' ' GLY . . . -34.85 90.52 0.01 OUTLIER Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.574 ' N ' ' O ' ' A' ' 10' ' ' GLY . . . 103.7 67.25 0.74 Allowed Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.471 ' HD3' ' H ' ' A' ' 12' ' ' GLY . 46.6 Cg_exo -51.67 -24.79 18.48 Favored 'Trans proline' 0 C--N 1.305 -1.747 0 C-N-CA 122.786 2.324 . . . . 0.0 112.134 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.3 p -82.66 46.34 1.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.624 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.767 ' O ' HD11 ' A' ' 19' ' ' ILE . 34.0 p -100.8 -161.97 0.9 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.602 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.5 m -90.6 -5.4 55.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.687 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -82.35 -50.88 8.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.691 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.545 ' CD ' ' O ' ' A' ' 18' ' ' GLN . 3.0 tm0? -68.17 -20.4 64.87 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.594 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.767 HD11 ' O ' ' A' ' 15' ' ' SER . 71.0 mt -84.56 -57.32 4.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.57 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 62.4 ttp -51.37 -36.64 44.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.537 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -67.1 -47.13 72.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.444 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 29.1 m -71.89 -5.57 35.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.493 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -81.81 -53.76 3.65 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.668 ' O ' ' CG ' ' A' ' 28' ' ' GLN . . . -78.63 -8.85 59.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.833 0.349 . . . . 0.0 110.494 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.554 ' O ' ' C ' ' A' ' 26' ' ' LEU . 29.9 tp -86.7 -81.51 0.22 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.558 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.554 ' C ' ' O ' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -26.11 -66.4 0.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.531 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.427 ' C ' ' N ' ' A' ' 29' ' ' GLY . 4.9 tp -50.58 -58.54 5.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.579 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.668 ' CG ' ' O ' ' A' ' 24' ' ' ALA . 69.6 mm-40 -46.85 -18.02 0.06 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.614 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.547 ' O ' ' N ' ' A' ' 31' ' ' ILE . . . -88.73 -72.9 1.28 Allowed Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -42.19 -18.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.834 0.35 . . . . 0.0 110.531 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.547 ' N ' ' O ' ' A' ' 29' ' ' GLY . 88.1 mt -77.07 -69.22 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.588 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.538 ' CD ' ' O ' ' A' ' 32' ' ' GLN . 0.0 OUTLIER -78.82 29.88 0.2 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.542 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.478 ' OD1' ' OE1' ' A' ' 32' ' ' GLN . 50.4 m-20 -112.81 -51.12 2.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.645 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.465 ' NH2' ' OD2' ' A' ' 71' ' ' ASP . 15.9 ptm180 -91.23 -27.13 18.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.579 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -98.75 -13.9 19.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.533 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -87.73 140.38 16.5 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 34.1 mmt180 -86.04 -175.48 5.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.791 0.329 . . . . 0.0 110.634 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 85.7 mmm -65.66 -37.84 87.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.608 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -89.52 174.53 41.56 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.871 -0.892 . . . . 0.0 110.871 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -166.12 65.52 0.21 Allowed Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.861 -0.896 . . . . 0.0 110.861 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -75.33 -40.27 58.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.777 0.323 . . . . 0.0 110.716 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.485 ' N ' ' HD3' ' A' ' 43' ' ' PRO . . . -147.3 59.25 4.71 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.656 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.485 ' HD3' ' N ' ' A' ' 42' ' ' ALA . 46.3 Cg_exo -51.74 155.73 7.58 Favored 'Trans proline' 0 C--N 1.305 -1.723 0 C-N-CA 122.708 2.272 . . . . 0.0 111.972 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -93.68 -8.08 41.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.53 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.501 ' CD1' HE22 ' A' ' 28' ' ' GLN . 35.0 tp -105.23 67.3 0.77 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.559 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -76.32 138.86 40.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.571 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.623 ' CD2' ' N ' ' A' ' 47' ' ' LEU . 1.1 pt? -145.67 173.05 12.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.557 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -90.76 160.64 38.05 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.601 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.692 ' O ' HG11 ' A' ' 50' ' ' VAL . 53.1 Cg_exo -47.26 165.26 0.11 Allowed 'Trans proline' 0 C--N 1.305 -1.733 0 C-N-CA 122.797 2.332 . . . . 0.0 112.149 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.692 HG11 ' O ' ' A' ' 49' ' ' PRO . 0.6 OUTLIER -164.41 138.26 4.2 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.54 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -48.91 164.43 0.24 Allowed 'Trans proline' 0 C--N 1.305 -1.747 0 C-N-CA 122.75 2.3 . . . . 0.0 112.055 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 56.8 tt0 -96.99 98.53 10.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.614 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -130.41 134.99 47.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.591 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -86.57 -2.94 58.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.628 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 6.5 t -58.45 -40.3 82.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.562 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.2 m -81.13 -33.87 32.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.515 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.2 mmmt -50.58 -54.58 21.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.564 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 31.9 ttpt -59.98 -47.73 84.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.554 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.94 -26.46 68.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.551 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.5 t -71.34 -35.36 71.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.556 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 76.0 mt-10 -63.78 -31.79 73.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.571 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 92.9 m -64.24 -37.85 88.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.563 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 8.6 mp -75.29 -24.72 57.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.535 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.43 ' CB ' ' HZ3' ' A' ' 64' ' ' LYS . 7.9 ttpm? -84.26 -36.66 22.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.596 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.435 ' O ' ' OE2' ' A' ' 69' ' ' GLU . 99.6 mtt180 -68.5 -44.48 74.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.63 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 20.7 tt -76.46 -35.05 25.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.623 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.426 ' O ' ' CB ' ' A' ' 71' ' ' ASP . . . -61.0 -45.4 96.69 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.961 -0.855 . . . . 0.0 110.961 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -62.76 -34.32 76.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.8 0.333 . . . . 0.0 110.592 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.54 ' OE1' ' N ' ' A' ' 69' ' ' GLU . 0.3 OUTLIER -79.59 -58.49 3.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.629 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.15 -43.05 73.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.617 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.465 ' OD2' ' NH2' ' A' ' 34' ' ' ARG . 55.0 t0 -65.07 -8.76 17.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.585 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.5 t -96.38 7.18 47.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.541 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -93.13 111.44 23.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.572 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 68.9 mtt -68.24 -11.35 59.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.542 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -80.17 -67.39 0.77 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.622 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 7.9 tp -59.68 -40.4 87.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.614 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.74 -37.91 85.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.584 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 72.3 ttt180 -68.55 -45.01 73.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.51 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 55.6 mtt -54.43 -43.93 71.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.599 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.516 ' O ' HG12 ' A' ' 83' ' ' VAL . 83.7 mt -62.39 -23.71 32.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.59 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -85.97 -18.68 31.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.608 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -86.55 -15.18 40.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.635 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.621 ' O ' ' CG1' ' A' ' 83' ' ' VAL . 7.4 p -89.72 82.99 2.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.568 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 50.4 p30 -41.28 162.04 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.549 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 80.3 p -119.24 120.32 36.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.629 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.583 ' HA ' ' HZ3' ' B' ' 144' ' ' TRP . 52.8 p-10 -148.67 -0.73 0.53 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.436 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.409 ' O ' HG11 ' A' ' 91' ' ' VAL . 39.1 t -175.27 86.9 0.31 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.459 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.501 ' O ' ' CB ' ' A' ' 92' ' ' PHE . 31.9 Cg_endo -67.16 -16.0 47.74 Favored 'Trans proline' 0 C--N 1.306 -1.684 0 C-N-CA 122.798 2.332 . . . . 0.0 112.049 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 17.8 ptt-85 -85.7 -35.38 20.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.488 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -77.79 -58.05 3.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.495 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.482 ' CG1' ' N ' ' A' ' 92' ' ' PHE . 10.1 p -57.02 -51.54 67.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.577 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.501 ' CB ' ' O ' ' A' ' 88' ' ' PRO . 30.4 t80 -45.7 -52.64 10.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.498 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -67.64 -30.44 70.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.521 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.736 ' NE ' ' HE1' ' A' ' 188' ' ' TRP . 24.7 ttp180 -71.3 -57.93 4.0 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.566 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.45 ' CG2' ' N ' ' A' ' 96' ' ' ALA . 27.9 m -59.51 -48.26 87.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.535 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.45 ' N ' ' CG2' ' A' ' 95' ' ' VAL . . . -54.84 -27.71 44.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.579 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -81.85 -38.98 24.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.506 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.41 ' O ' ' C ' ' A' ' 99' ' ' MET . 99.5 m-20 -63.07 -38.71 92.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.567 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' MET . . . . . 0.503 ' HB2' HH21 ' A' ' 109' ' ' ARG . 64.6 mtt -38.43 -68.86 0.14 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.552 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.594 ' CD2' ' O ' ' A' ' 100' ' ' PHE . 15.8 p90 -111.27 57.6 0.62 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.617 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.2 t -74.74 -26.76 60.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.588 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . 0.553 ' O ' ' C ' ' A' ' 103' ' ' GLY . 55.1 p-10 -155.59 -18.44 0.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.587 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.553 ' C ' ' O ' ' A' ' 102' ' ' ASP . . . -26.33 -80.73 0.01 OUTLIER Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . 0.608 ' O ' ' CG ' ' A' ' 105' ' ' PHE . 8.7 m-20 174.52 34.41 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.749 0.309 . . . . 0.0 110.504 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.608 ' CG ' ' O ' ' A' ' 104' ' ' ASN . 30.6 p90 42.69 29.14 0.15 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.543 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.54 ' CG ' ' H ' ' A' ' 107' ' ' TRP . 27.2 p30 -52.28 -110.41 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.575 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' TRP . . . . . 0.54 ' H ' ' CG ' ' A' ' 106' ' ' ASN . 6.8 t90 174.58 -26.11 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.552 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . 0.44 ' O ' HG13 ' A' ' 111' ' ' VAL . . . -50.19 -42.03 40.03 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . 0.503 HH21 ' HB2' ' A' ' 99' ' ' MET . 0.0 OUTLIER -48.17 -26.04 1.74 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.779 0.323 . . . . 0.0 110.51 179.939 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.478 ' N ' ' HD3' ' A' ' 109' ' ' ARG . 34.0 t -52.65 -57.87 3.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.533 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.553 ' CG1' ' N ' ' A' ' 112' ' ' ALA . 4.8 p -45.34 -46.74 3.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.55 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.553 ' N ' ' CG1' ' A' ' 111' ' ' VAL . . . -58.09 -35.02 70.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.555 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 1.9 tt -56.92 -46.73 81.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.513 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.459 ' CZ ' ' CG1' ' A' ' 110' ' ' VAL . 9.6 m-85 -57.19 -44.04 83.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.559 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 92.6 t80 -68.13 -43.36 78.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.58 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 92.9 t80 -59.26 -41.78 89.65 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.586 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -70.99 -32.55 69.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.555 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 4.9 t -48.73 -44.1 38.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.503 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.813 ' O ' ' CB ' ' A' ' 123' ' ' LYS . 56.1 mmtt -60.05 -43.55 95.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.539 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 52.2 mt -68.38 -30.6 69.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.524 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.409 ' O ' ' CD1' ' A' ' 133' ' ' ILE . 52.8 t -77.7 -53.34 14.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.57 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 70.2 mt -73.04 -40.73 64.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.553 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.813 ' CB ' ' O ' ' A' ' 119' ' ' LYS . 41.6 tptt -58.27 -41.19 83.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.539 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.466 ' O ' ' OG1' ' A' ' 127' ' ' THR . . . -75.83 -20.54 58.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.572 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 5.8 tt -64.56 -30.77 71.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.534 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . 0.479 ' HG ' ' N ' ' A' ' 127' ' ' THR . 13.9 p -84.6 -35.27 22.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.555 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' THR . . . . . 0.564 ' O ' ' CB ' ' A' ' 128' ' ' LYS . 40.4 p -54.61 -17.54 3.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.603 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.564 ' CB ' ' O ' ' A' ' 127' ' ' THR . 24.4 ttpt 85.79 46.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.571 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . 0.539 ' CG2' ' OG1' ' A' ' 127' ' ' THR . 0.2 OUTLIER -148.15 86.91 5.89 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.603 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -69.3 -14.41 37.5 Favored 'Trans proline' 0 C--N 1.306 -1.669 0 C-N-CA 122.813 2.342 . . . . 0.0 112.027 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -64.6 -42.0 95.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.523 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 8.5 mp -60.1 -33.99 72.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.509 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . 0.428 HD13 HG23 ' A' ' 133' ' ' ILE . 21.5 mm -57.05 -50.08 77.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.488 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 83.6 mtp180 -69.14 -34.88 75.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.456 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 7.3 m -67.25 -31.96 72.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.504 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 44.9 mt -69.69 -58.78 4.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.564 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' MET . . . . . 0.459 ' SD ' ' NE2' ' A' ' 28' ' ' GLN . 47.0 ttp -46.44 -25.59 0.69 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.552 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -68.61 -40.49 85.88 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' TRP . . . . . 0.515 ' CD1' ' N ' ' A' ' 139' ' ' TRP . 12.7 m0 -66.34 -24.45 66.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.848 0.356 . . . . 0.0 110.565 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' THR . . . . . 0.468 ' OG1' ' N ' ' A' ' 141' ' ' LEU . 24.1 p -75.49 -65.84 0.84 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.501 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . 0.468 ' N ' ' OG1' ' A' ' 140' ' ' THR . 4.1 tp -51.77 -33.65 36.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.558 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -65.84 -51.0 62.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.5 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -66.85 -38.81 87.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.55 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 1.7 tp -71.16 -35.48 71.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.518 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 59.0 ttp180 -83.08 -10.56 58.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.539 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -112.05 -4.73 14.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.59 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . 1.152 ' O ' ' N ' ' A' ' 149' ' ' LEU . 17.1 mtp180 -142.11 -110.9 0.13 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.581 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . 0.699 ' O ' ' N ' ' A' ' 152' ' ' ILE . 1.0 OUTLIER -15.35 -27.75 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.589 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . 1.152 ' N ' ' O ' ' A' ' 147' ' ' ARG . 44.4 tp -49.04 -56.35 9.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.559 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -63.89 -50.7 59.24 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 151' ' ' TRP . . . . . . . . . . . . . 99.6 m95 -66.24 -55.91 13.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.768 0.318 . . . . 0.0 110.538 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 152' ' ' ILE . . . . . 0.699 ' N ' ' O ' ' A' ' 148' ' ' LEU . 10.3 tt -51.22 -34.33 14.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.585 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . 0.4 ' N ' HG22 ' A' ' 152' ' ' ILE . 56.3 tt0 -67.49 -31.12 71.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.61 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . 0.436 ' OD1' ' O ' ' A' ' 154' ' ' ASP . 51.3 t0 -89.23 -4.54 58.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.56 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -97.49 0.76 48.14 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.542 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 83.74 24.65 48.95 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 89.77 -160.36 28.73 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.946 -0.861 . . . . 0.0 110.946 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . 36.0 m95 -73.95 -5.69 42.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.793 0.33 . . . . 0.0 110.514 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -60.92 -42.36 97.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.611 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -54.54 -32.05 52.84 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 2.1 tt -63.01 -54.07 44.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.812 0.339 . . . . 0.0 110.524 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 5.9 tp -67.15 -30.94 71.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.589 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 5.3 t -66.9 -26.04 66.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.533 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 164' ' ' TYR . . . . . 0.422 ' C ' ' H ' ' A' ' 166' ' ' GLY . 93.6 t80 -76.93 -42.53 38.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.543 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -71.68 48.07 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.621 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 166' ' ' GLY . . . . . 0.422 ' H ' ' C ' ' A' ' 164' ' ' TYR . . . -131.11 39.16 1.82 Allowed Glycine 0 CA--C 1.526 0.759 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 167' ' ' THR . . . . . 1.001 ' OG1' ' HD2' ' A' ' 168' ' ' PRO . 0.6 OUTLIER -108.52 178.7 0.99 Allowed Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 120.969 0.414 . . . . 0.0 110.498 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 168' ' ' PRO . . . . . 1.001 ' HD2' ' OG1' ' A' ' 167' ' ' THR . 42.8 Cg_endo -71.45 -144.94 0.02 OUTLIER 'Trans proline' 0 C--N 1.306 -1.659 0 C-N-CA 122.754 2.302 . . . . 0.0 112.122 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 169' ' ' THR . . . . . 0.58 ' C ' ' O ' ' A' ' 168' ' ' PRO . 19.9 p -24.24 102.5 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.537 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 170' ' ' TRP . . . . . 0.622 ' O ' HG23 ' A' ' 173' ' ' VAL . 29.3 p90 -65.57 -18.54 65.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.579 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 171' ' ' GLN . . . . . 0.526 ' NE2' ' OG1' ' A' ' 172' ' ' THR . 5.4 pp0? -47.34 -14.17 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.545 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 172' ' ' THR . . . . . 0.526 ' OG1' ' NE2' ' A' ' 171' ' ' GLN . 5.0 m -86.82 -29.46 22.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.632 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 173' ' ' VAL . . . . . 0.622 HG23 ' O ' ' A' ' 170' ' ' TRP . 2.0 m -72.08 -45.74 61.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.581 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 174' ' ' THR . . . . . 0.562 ' N ' ' CG2' ' A' ' 173' ' ' VAL . 25.1 m -64.47 -25.01 67.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.598 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 175' ' ' ILE . . . . . 0.42 ' O ' ' CG2' ' A' ' 175' ' ' ILE . 88.9 mt -85.71 -7.49 10.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.607 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 176' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -94.68 -60.05 1.79 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.534 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 3.3 m -62.11 -16.7 16.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.533 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 178' ' ' ALA . . . . . 0.626 ' O ' ' OG1' ' A' ' 182' ' ' THR . . . -95.59 -45.95 6.84 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.562 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -62.34 -26.14 67.58 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 180' ' ' VAL . . . . . 0.519 ' CG1' ' N ' ' A' ' 181' ' ' LEU . 13.7 p -86.23 -51.77 12.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.886 0.374 . . . . 0.0 110.604 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . 0.519 ' N ' ' CG1' ' A' ' 180' ' ' VAL . 42.5 tp -69.25 -48.03 63.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.544 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 182' ' ' THR . . . . . 0.626 ' OG1' ' O ' ' A' ' 178' ' ' ALA . 26.8 m -50.54 -51.35 48.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.573 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -47.33 -45.74 24.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.562 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 184' ' ' SER . . . . . . . . . . . . . 27.5 t -54.4 -37.92 65.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.574 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 62.6 mt -77.67 -21.6 51.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.529 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 20.9 m -73.29 -44.87 58.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.557 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 187' ' ' ILE . . . . . 0.509 ' O ' ' C ' ' A' ' 188' ' ' TRP . 12.2 tt -73.68 -51.61 24.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.56 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 188' ' ' TRP . . . . . 0.736 ' HE1' ' NE ' ' A' ' 94' ' ' ARG . 7.0 t90 -30.75 -56.95 0.22 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.541 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 7.5 mmtt -175.68 128.29 0.25 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.564 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 190' ' ' LYS . . . . . . . . . . . . . 14.8 ptmt -110.0 89.6 3.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.534 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 191' ' ' MET . . . . . . . . . . . . . 84.3 mtp -128.62 136.56 50.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.503 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.693 0 CA-C-O 118.007 -1.441 . . . . 0.0 110.941 -179.99 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 130' ' ' CYS . . . . . 0.502 ' O ' ' O ' ' B' ' 131' ' ' GLU . 19.4 p . . . . . 0 N--CA 1.49 1.53 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 131' ' ' GLU . . . . . 0.502 ' O ' ' O ' ' B' ' 130' ' ' CYS . 17.1 pt-20 -48.73 -174.77 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.544 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . 53.26 -166.94 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.572 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 133' ' ' LEU . . . . . 0.523 ' N ' ' CD2' ' B' ' 133' ' ' LEU . 4.0 mm? -78.58 121.17 24.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.617 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 134' ' ' LYS . . . . . . . . . . . . . 26.5 tptp -51.55 -44.36 62.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.598 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 135' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -139.37 -91.83 0.18 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.567 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 136' ' ' ALA . . . . . . . . . . . . . . . 49.29 85.19 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.596 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 137' ' ' LEU . . . . . 0.533 ' C ' ' H ' ' B' ' 139' ' ' ARG . 10.1 mp -99.54 161.39 13.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.561 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 138' ' ' ARG . . . . . 0.489 ' O ' ' HB2' ' B' ' 142' ' ' PHE . 31.9 ptt180 -57.4 -3.33 0.16 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.586 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 139' ' ' ARG . . . . . 0.533 ' H ' ' C ' ' B' ' 137' ' ' LEU . 88.2 mtm180 -62.53 -44.18 96.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.592 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 140' ' ' HIS . . . . . 0.745 ' O ' ' N ' ' B' ' 143' ' ' LEU . 97.6 m-70 -79.58 -66.81 0.82 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.559 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 141' ' ' ARG . . . . . 0.495 ' C ' ' O ' ' B' ' 140' ' ' HIS . 59.6 ttm-85 -32.88 -30.53 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.554 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 142' ' ' PHE . . . . . 0.614 ' N ' ' O ' ' B' ' 140' ' ' HIS . 9.5 m-85 -94.32 -27.4 16.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.529 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 143' ' ' LEU . . . . . 0.745 ' N ' ' O ' ' B' ' 140' ' ' HIS . 34.7 tp -61.73 -31.82 72.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.557 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 144' ' ' TRP . . . . . 0.583 ' HZ3' ' HA ' ' A' ' 86' ' ' ASP . 65.3 t-105 -89.47 -52.22 5.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.555 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 145' ' ' GLN . . . . . 0.422 ' C ' ' O ' ' B' ' 144' ' ' TRP . 14.6 tt0 -37.31 -68.21 0.16 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.554 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 146' ' ' ARG . . . . . . . . . . . . . 90.0 mtm180 39.82 -106.63 0.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.551 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 147' ' ' ARG . . . . . . . . . . . . . 16.9 ptp180 -82.69 137.16 34.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.497 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 148' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -65.29 -40.99 94.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.55 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -155.77 133.21 10.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.552 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 150' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.444 0 CA-C-O 117.938 -1.029 . . . . 0.0 110.637 179.951 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.4 ptt? . . . . . 0 N--CA 1.49 1.575 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.825 ' OD1' ' N ' ' A' ' 3' ' ' GLY . 53.2 p-10 -56.63 -52.98 62.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.482 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.825 ' N ' ' OD1' ' A' ' 2' ' ' ASP . . . 89.38 -73.83 2.03 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.7 m -158.04 -24.89 0.08 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.864 0.364 . . . . 0.0 110.613 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 171.92 -147.87 10.43 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.938 ' O ' ' HB3' ' A' ' 7' ' ' GLN . 7.5 tp10 -136.43 105.64 6.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.829 0.347 . . . . 0.0 110.515 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.971 ' O ' ' HG3' ' A' ' 7' ' ' GLN . 5.5 tp-100 97.61 59.22 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.426 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.527 ' HD3' ' H ' ' A' ' 7' ' ' GLN . 53.4 Cg_exo -46.84 -178.24 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.741 0 C-N-CA 122.891 2.394 . . . . 0.0 112.134 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.416 ' C ' ' O ' ' A' ' 8' ' ' PRO . 34.1 mtp180 -38.76 130.41 1.43 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.381 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' A' ' 11' ' ' GLY . . . -141.89 -12.35 0.48 Allowed Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.179 -0.768 . . . . 0.0 111.179 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 10' ' ' GLY . . . 38.91 45.04 2.06 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.844 -0.902 . . . . 0.0 110.844 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -149.85 -80.91 0.03 OUTLIER Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.751 -0.94 . . . . 0.0 110.751 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.605 ' O ' ' N ' ' A' ' 15' ' ' SER . 57.8 Cg_exo -46.8 -43.57 23.5 Favored 'Trans proline' 0 C--N 1.304 -1.771 0 C-N-CA 122.765 2.31 . . . . 0.0 112.033 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.746 ' O ' ' N ' ' A' ' 16' ' ' SER . 70.9 p -60.81 65.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.613 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 1.052 ' O ' HD11 ' A' ' 19' ' ' ILE . 18.5 p -28.35 82.15 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.545 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.746 ' N ' ' O ' ' A' ' 14' ' ' THR . 57.7 m -92.58 -16.59 25.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.545 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -93.11 -47.28 7.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.536 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.6 HE22 ' CG2' ' A' ' 22' ' ' THR . 3.2 tm0? -59.73 -31.32 69.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.416 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 1.052 HD11 ' O ' ' A' ' 15' ' ' SER . 68.2 mt -75.66 -51.67 20.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.511 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 52.0 ttp -56.9 -36.41 70.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.624 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -67.92 -44.05 77.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.638 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.6 ' CG2' HE22 ' A' ' 18' ' ' GLN . 41.1 p -72.73 -13.48 61.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.58 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -74.86 -54.28 5.92 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.34 -10.33 59.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.756 0.313 . . . . 0.0 110.588 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.53 ' O ' ' C ' ' A' ' 26' ' ' LEU . 6.6 tt -86.56 -78.4 0.29 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.556 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.53 ' C ' ' O ' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -29.17 -64.4 0.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.551 -179.952 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.419 ' O ' HG13 ' A' ' 31' ' ' ILE . 56.8 mt -52.47 -56.79 12.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.52 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 7.5 tp-100 -48.4 -18.02 0.2 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.575 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.532 ' O ' ' N ' ' A' ' 31' ' ' ILE . . . -88.63 -72.4 1.28 Allowed Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -42.51 -18.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.834 0.349 . . . . 0.0 110.58 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.532 ' N ' ' O ' ' A' ' 29' ' ' GLY . 94.2 mt -77.0 -69.02 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.568 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 43.7 tt0 -79.08 29.83 0.21 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.555 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.45 ' H ' ' C ' ' A' ' 31' ' ' ILE . 97.9 m-20 -112.77 -51.17 2.85 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.548 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 -91.2 -26.98 18.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.528 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -99.21 -12.78 20.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.57 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -66.7 -36.4 91.21 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.428 ' CG ' ' H ' ' A' ' 38' ' ' MET . 46.1 ttm-85 50.58 -134.07 1.6 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.717 0.294 . . . . 0.0 110.554 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.428 ' H ' ' CG ' ' A' ' 37' ' ' ARG . 14.6 tpp -155.73 143.97 20.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.503 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 73.16 20.04 79.81 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -63.91 -47.97 80.76 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 58.5 tt0 55.56 55.43 7.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.757 0.313 . . . . 0.0 110.531 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.6 ' N ' ' HD3' ' A' ' 43' ' ' PRO . . . 178.78 51.9 0.04 OUTLIER Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.634 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.6 ' HD3' ' N ' ' A' ' 42' ' ' ALA . 50.7 Cg_exo -49.09 100.22 0.04 OUTLIER 'Trans proline' 0 C--N 1.304 -1.765 0 C-N-CA 122.81 2.34 . . . . 0.0 112.106 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 63.2 mt-10 -88.61 -12.1 43.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.637 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.678 ' CD2' ' N ' ' A' ' 45' ' ' LEU . 0.4 OUTLIER -100.48 67.23 1.3 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.576 -179.946 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.403 ' O ' ' HB2' ' A' ' 47' ' ' LEU . . . -76.88 141.65 40.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.566 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.403 ' HB2' ' O ' ' A' ' 46' ' ' ALA . 23.5 tp 178.85 -69.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.535 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.407 ' O ' ' N ' ' A' ' 50' ' ' VAL . 27.3 p30 178.95 64.23 0.11 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.491 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_endo -64.27 64.53 0.24 Allowed 'Trans proline' 0 C--N 1.305 -1.747 0 C-N-CA 122.777 2.318 . . . . 0.0 112.06 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.407 ' N ' ' O ' ' A' ' 48' ' ' ASP . 3.0 t -138.52 70.63 45.48 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.539 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_endo -65.4 124.52 13.02 Favored 'Trans proline' 0 C--N 1.305 -1.761 0 C-N-CA 122.84 2.36 . . . . 0.0 112.157 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 -110.89 -57.98 2.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.541 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -73.29 140.37 46.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.614 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -86.4 -1.91 57.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.585 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 35.0 t -59.66 -39.71 85.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.603 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 41.0 p -82.7 -33.69 27.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.542 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -50.06 -54.81 17.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.554 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 31.0 ttpt -59.76 -47.99 83.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.621 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 6.5 mt -61.68 -26.25 67.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.564 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.6 t -71.44 -35.28 70.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.576 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -64.04 -31.57 72.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.538 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 94.4 m -64.44 -37.67 88.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.593 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 11.0 mp -75.5 -24.54 56.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.522 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.1 ttpm? -84.32 -36.53 22.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.625 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.439 ' O ' ' OE2' ' A' ' 69' ' ' GLU . 99.7 mtt180 -68.64 -44.45 74.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.558 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 20.7 tt -76.48 -35.03 25.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.54 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.426 ' O ' ' CB ' ' A' ' 71' ' ' ASP . . . -61.04 -45.48 96.5 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.419 ' OD1' ' O ' ' A' ' 68' ' ' ASP . 67.8 t0 -62.69 -34.38 77.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.765 0.317 . . . . 0.0 110.54 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.542 ' OE1' ' N ' ' A' ' 69' ' ' GLU . 0.3 OUTLIER -79.6 -58.47 3.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.622 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.15 -43.0 73.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.575 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.426 ' CB ' ' O ' ' A' ' 67' ' ' GLY . 51.0 t0 -65.12 -8.71 17.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.546 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.4 t -96.41 7.14 47.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.63 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -93.05 111.5 23.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.542 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 58.4 mtt -68.27 -11.34 59.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.569 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -80.22 -67.38 0.77 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.591 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.7 tp -59.73 -40.3 87.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.575 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.936 ' NE2' HD23 ' B' ' 133' ' ' LEU . 14.4 tm0? -61.8 -37.96 86.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.571 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 75.3 ttt180 -68.41 -44.96 73.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.598 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 65.2 mtp -54.51 -43.86 72.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.617 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.511 ' O ' HG12 ' A' ' 83' ' ' VAL . 84.8 mt -62.49 -23.6 32.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.569 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -86.12 -18.67 31.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.547 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -86.54 -15.36 40.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.577 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.615 ' O ' ' CG1' ' A' ' 83' ' ' VAL . 7.7 p -89.49 82.83 2.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.567 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.422 ' O ' ' O ' ' A' ' 83' ' ' VAL . 40.8 p-10 -40.62 162.52 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.581 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 23.0 p -119.87 119.89 34.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.56 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -148.62 -0.65 0.54 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.462 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.429 ' O ' HG11 ' A' ' 91' ' ' VAL . 36.3 t -175.51 87.42 0.3 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.493 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.512 ' O ' ' CB ' ' A' ' 92' ' ' PHE . 34.5 Cg_endo -67.76 -16.21 45.74 Favored 'Trans proline' 0 C--N 1.306 -1.702 0 C-N-CA 122.757 2.305 . . . . 0.0 112.068 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 36.8 ptt-85 -85.14 -35.74 21.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.497 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -78.0 -57.51 3.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.469 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.476 ' CG1' ' N ' ' A' ' 92' ' ' PHE . 9.5 p -57.18 -51.42 69.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.548 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.512 ' CB ' ' O ' ' A' ' 88' ' ' PRO . 84.4 t80 -46.09 -52.31 12.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.481 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -67.56 -30.67 70.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.508 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 16.1 tpp180 -71.22 -58.14 3.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.539 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.448 ' CG2' ' N ' ' A' ' 96' ' ' ALA . 27.1 m -59.14 -48.22 87.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.495 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.448 ' N ' ' CG2' ' A' ' 95' ' ' VAL . . . -54.96 -27.69 45.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.532 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -81.94 -38.87 24.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.518 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 99' ' ' MET . 99.9 m-20 -63.16 -38.7 92.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.583 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' MET . . . . . 0.503 ' HB2' HH21 ' A' ' 109' ' ' ARG . 61.9 mtt -38.3 -68.94 0.13 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.551 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.6 ' CD2' ' O ' ' A' ' 100' ' ' PHE . 16.4 p90 -111.28 57.64 0.62 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.594 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.2 t -74.8 -26.79 59.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.551 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . 0.533 ' O ' ' C ' ' A' ' 103' ' ' GLY . 55.6 p-10 -155.63 -18.36 0.11 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.543 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.533 ' C ' ' O ' ' A' ' 102' ' ' ASP . . . -26.28 -80.73 0.01 OUTLIER Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . 0.605 ' O ' ' CG ' ' A' ' 105' ' ' PHE . 28.3 t-20 174.53 34.34 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.784 0.326 . . . . 0.0 110.605 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.605 ' CG ' ' O ' ' A' ' 104' ' ' ASN . 27.8 p90 42.7 29.0 0.14 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.614 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.54 ' CG ' ' H ' ' A' ' 107' ' ' TRP . 28.4 p30 -52.08 -110.47 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.609 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' TRP . . . . . 0.54 ' H ' ' CG ' ' A' ' 106' ' ' ASN . 6.7 t90 174.61 -26.14 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.572 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . 0.433 ' O ' HG13 ' A' ' 111' ' ' VAL . . . -50.12 -42.08 39.49 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . 0.503 HH21 ' HB2' ' A' ' 99' ' ' MET . 0.0 OUTLIER -48.15 -26.05 1.73 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.775 0.321 . . . . 0.0 110.544 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.482 HG23 ' NE1' ' A' ' 107' ' ' TRP . 37.7 t -52.62 -57.86 3.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.561 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.555 ' CG1' ' N ' ' A' ' 112' ' ' ALA . 4.6 p -45.28 -46.77 3.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.563 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.555 ' N ' ' CG1' ' A' ' 111' ' ' VAL . . . -58.13 -34.98 70.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.592 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 1.9 tt -56.94 -46.68 81.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.584 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.43 ' CZ ' ' CG1' ' A' ' 110' ' ' VAL . 10.2 m-85 -57.22 -43.99 83.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.616 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 90.7 t80 -68.15 -43.53 78.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.52 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 92.5 t80 -59.02 -41.92 88.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.566 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -70.93 -32.61 69.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.518 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 5.3 t -48.56 -44.23 36.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.605 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.82 ' O ' ' CB ' ' A' ' 123' ' ' LYS . 56.2 mmtt -59.98 -43.62 95.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.516 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 53.1 mt -68.03 -31.32 70.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.51 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 78.2 t -77.06 -53.66 14.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.523 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 68.4 mt -72.86 -40.91 65.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.515 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.82 ' CB ' ' O ' ' A' ' 119' ' ' LYS . 88.8 tttt -57.99 -41.11 82.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.567 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -75.73 -21.88 57.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.516 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 6.5 tt -63.04 -32.3 73.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.599 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 9.6 t -83.24 -35.48 25.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.605 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' THR . . . . . 0.762 ' O ' ' HB2' ' A' ' 128' ' ' LYS . 53.8 m -53.71 -19.23 3.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.574 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.762 ' HB2' ' O ' ' A' ' 127' ' ' THR . 54.4 mttp 87.51 45.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.531 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 16.8 m -148.4 87.89 5.52 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.598 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -69.56 -15.04 37.62 Favored 'Trans proline' 0 C--N 1.304 -1.816 0 C-N-CA 122.799 2.333 . . . . 0.0 112.029 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -63.78 -41.73 97.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.498 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 9.3 mp -60.55 -34.18 73.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.481 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 99.7 mt -56.79 -50.06 76.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.507 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . 0.422 ' O ' ' HG3' ' A' ' 137' ' ' MET . 79.4 mtp85 -69.24 -34.83 75.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.457 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 7.1 m -67.24 -31.91 72.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.484 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 47.2 mt -69.68 -58.76 4.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.601 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' MET . . . . . 0.48 ' C ' ' SD ' ' A' ' 137' ' ' MET . 0.0 OUTLIER -46.54 -25.46 0.69 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.504 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -68.73 -40.4 85.42 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.911 -0.875 . . . . 0.0 110.911 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' TRP . . . . . 0.511 ' CD1' ' N ' ' A' ' 139' ' ' TRP . 13.2 m0 -66.36 -24.46 66.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.809 0.338 . . . . 0.0 110.529 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' THR . . . . . 0.503 ' OG1' ' N ' ' A' ' 141' ' ' LEU . 15.8 p -75.49 -65.86 0.84 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.53 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . 1.266 ' H ' ' N ' ' A' ' 141' ' ' LEU . 52.5 mt -51.76 -33.7 36.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.511 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -65.79 -50.99 62.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.5 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . 0.442 ' O ' ' HB2' ' A' ' 147' ' ' ARG . 5.6 t80 -66.84 -38.86 87.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.612 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 2.0 tp -71.09 -35.47 71.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.531 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 59.2 ttp180 -83.07 -10.6 58.62 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.537 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -111.97 -4.67 14.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.561 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . 1.152 ' O ' ' N ' ' A' ' 149' ' ' LEU . 12.2 mtp180 -142.17 -110.98 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.537 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . 0.697 ' O ' ' N ' ' A' ' 152' ' ' ILE . 1.0 OUTLIER -15.37 -27.73 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.516 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . 1.152 ' N ' ' O ' ' A' ' 147' ' ' ARG . 42.4 tp -49.18 -56.26 9.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.509 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -63.97 -50.61 59.61 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 151' ' ' TRP . . . . . . . . . . . . . 99.9 m95 -66.32 -55.8 14.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.764 0.316 . . . . 0.0 110.544 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 152' ' ' ILE . . . . . 0.697 ' N ' ' O ' ' A' ' 148' ' ' LEU . 10.3 tt -51.28 -34.26 14.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.566 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . 0.423 ' OE1' ' HA ' ' A' ' 14' ' ' THR . 11.9 tp-100 -67.51 -31.3 71.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.561 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -89.07 -4.52 58.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.536 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -97.47 0.73 48.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.594 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 83.64 24.75 49.02 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 89.75 -160.32 28.73 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 158' ' ' TRP . . . . . 0.415 ' HE1' HG23 ' A' ' 19' ' ' ILE . 32.2 m95 -73.98 -5.62 42.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.775 0.322 . . . . 0.0 110.513 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -60.91 -42.42 98.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.564 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -54.41 -32.18 51.98 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 2.0 tt -62.95 -54.06 44.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.804 0.335 . . . . 0.0 110.555 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 45.6 tp -67.09 -30.98 71.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.617 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 4.9 t -66.87 -26.12 66.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.599 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 164' ' ' TYR . . . . . 0.42 ' C ' ' H ' ' A' ' 166' ' ' GLY . 93.9 t80 -76.79 -42.68 39.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.52 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -71.53 48.18 0.14 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.569 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 166' ' ' GLY . . . . . 0.42 ' H ' ' C ' ' A' ' 164' ' ' TYR . . . -131.36 39.27 1.8 Allowed Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 167' ' ' THR . . . . . 1.039 ' OG1' ' HD2' ' A' ' 168' ' ' PRO . 0.6 OUTLIER -108.71 179.25 0.88 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 120.898 0.38 . . . . 0.0 110.584 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 168' ' ' PRO . . . . . 1.039 ' HD2' ' OG1' ' A' ' 167' ' ' THR . 46.3 Cg_endo -71.98 -146.44 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.733 0 C-N-CA 122.836 2.357 . . . . 0.0 112.091 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 169' ' ' THR . . . . . 0.592 ' C ' ' O ' ' A' ' 168' ' ' PRO . 38.1 p -22.91 102.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.502 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 170' ' ' TRP . . . . . 0.612 ' O ' HG23 ' A' ' 173' ' ' VAL . 26.0 p90 -65.3 -18.63 65.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.552 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 171' ' ' GLN . . . . . 0.54 ' NE2' ' OG1' ' A' ' 172' ' ' THR . 5.4 pp0? -46.9 -14.23 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.558 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 172' ' ' THR . . . . . 0.54 ' OG1' ' NE2' ' A' ' 171' ' ' GLN . 96.9 m -87.0 -29.53 21.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.574 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 173' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 170' ' ' TRP . 2.0 m -72.05 -45.65 62.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.639 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 174' ' ' THR . . . . . 0.567 ' N ' ' CG2' ' A' ' 173' ' ' VAL . 24.7 m -64.59 -24.89 67.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.553 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 175' ' ' ILE . . . . . 0.425 HG23 ' O ' ' A' ' 172' ' ' THR . 1.6 tt -85.8 -7.5 10.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.561 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 176' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -94.67 -60.13 1.77 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.546 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 3.2 m -62.14 -16.63 16.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.604 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 178' ' ' ALA . . . . . 0.629 ' O ' ' OG1' ' A' ' 182' ' ' THR . . . -95.63 -45.88 6.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.485 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -62.39 -26.05 67.56 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 180' ' ' VAL . . . . . 0.521 ' CG1' ' N ' ' A' ' 181' ' ' LEU . 13.7 p -86.31 -51.78 12.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.856 0.36 . . . . 0.0 110.497 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . 0.521 ' N ' ' CG1' ' A' ' 180' ' ' VAL . 60.0 tp -69.27 -47.99 63.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.57 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 182' ' ' THR . . . . . 0.629 ' OG1' ' O ' ' A' ' 178' ' ' ALA . 25.9 m -50.48 -51.36 47.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.602 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -47.35 -45.68 25.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.599 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 184' ' ' SER . . . . . . . . . . . . . 27.9 t -54.57 -37.76 65.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.587 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 64.2 mt -77.68 -21.69 51.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.551 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 20.7 m -73.24 -44.83 58.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.59 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 187' ' ' ILE . . . . . 0.505 ' O ' ' C ' ' A' ' 188' ' ' TRP . 12.5 tt -73.73 -51.66 23.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.584 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 188' ' ' TRP . . . . . 0.505 ' C ' ' O ' ' A' ' 187' ' ' ILE . 0.2 OUTLIER -30.63 -56.99 0.21 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.622 179.936 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 7.8 mmtt -175.75 128.3 0.24 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.588 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 190' ' ' LYS . . . . . . . . . . . . . 14.2 ptmt -109.89 89.55 3.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.573 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 191' ' ' MET . . . . . . . . . . . . . 83.1 mtp -128.63 136.6 50.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.499 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.719 0 CA-C-O 118.031 -1.427 . . . . 0.0 110.957 179.991 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 130' ' ' CYS . . . . . . . . . . . . . 97.8 m . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 131' ' ' GLU . . . . . . . . . . . . . 82.1 mt-10 -68.0 -42.32 80.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.566 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -135.35 148.91 49.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.614 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 133' ' ' LEU . . . . . 0.936 HD23 ' NE2' ' A' ' 77' ' ' GLN . 9.1 mp -55.86 127.03 28.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.548 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 134' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -89.77 -11.42 42.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.538 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 135' ' ' LYS . . . . . 0.451 ' O ' ' O ' ' B' ' 136' ' ' ALA . 98.1 mttt -60.1 -48.71 80.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.549 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 136' ' ' ALA . . . . . 0.451 ' O ' ' O ' ' B' ' 135' ' ' LYS . . . 47.41 99.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.544 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 137' ' ' LEU . . . . . 0.514 ' O ' ' NE2' ' B' ' 140' ' ' HIS . 9.6 mp -79.47 144.05 34.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.527 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 138' ' ' ARG . . . . . 0.547 ' O ' ' HB2' ' B' ' 142' ' ' PHE . 50.1 ttp180 -106.08 -7.99 17.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.548 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 139' ' ' ARG . . . . . 0.432 HH21 ' CD2' ' B' ' 137' ' ' LEU . 84.1 mtm180 -59.37 -42.51 91.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.579 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 140' ' ' HIS . . . . . 0.779 ' O ' ' N ' ' B' ' 143' ' ' LEU . 10.5 p80 -83.78 -67.71 0.77 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.5 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 141' ' ' ARG . . . . . 0.727 ' H ' ' CG ' ' B' ' 140' ' ' HIS . 58.7 ttp180 -31.67 -29.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.6 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 142' ' ' PHE . . . . . 0.658 ' N ' ' O ' ' B' ' 140' ' ' HIS . 3.7 m-85 -95.0 -27.76 15.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.457 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 143' ' ' LEU . . . . . 0.779 ' N ' ' O ' ' B' ' 140' ' ' HIS . 6.9 tp -61.36 -32.39 72.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.501 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 144' ' ' TRP . . . . . 0.439 ' O ' ' C ' ' B' ' 145' ' ' GLN . 63.1 t-105 -88.17 -53.72 4.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.585 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 145' ' ' GLN . . . . . 0.439 ' C ' ' O ' ' B' ' 144' ' ' TRP . 2.5 tm0? -36.19 -66.79 0.19 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.555 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 146' ' ' ARG . . . . . . . . . . . . . 60.6 ttt85 -77.92 130.55 36.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.57 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 147' ' ' ARG . . . . . . . . . . . . . 31.6 ptt180 -61.17 129.35 40.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.639 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 148' ' ' GLN . . . . . 0.525 ' C ' ' H ' ' B' ' 150' ' ' ALA . 5.9 tp-100 -65.82 -30.99 71.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.609 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 66.8 ttt180 62.67 -1.19 0.47 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.592 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 150' ' ' ALA . . . . . 0.525 ' H ' ' C ' ' B' ' 148' ' ' GLN . . . . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 117.993 -1.003 . . . . 0.0 110.592 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.417 ' H2 ' ' H ' ' A' ' 2' ' ' ASP . 25.9 ptt? . . . . . 0 N--CA 1.491 1.597 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.417 ' H ' ' H2 ' ' A' ' 1' ' ' MET . 55.7 p30 -85.96 3.05 43.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.536 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 58.65 -131.54 52.1 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 74.5 m -62.22 -40.47 96.21 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.851 0.358 . . . . 0.0 110.591 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 179.02 -177.15 48.38 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 52.8 tp10 -138.18 132.94 32.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.851 0.358 . . . . 0.0 110.521 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.407 ' N ' ' CD ' ' A' ' 8' ' ' PRO . 9.0 tp-100 47.69 56.83 17.83 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.567 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.407 ' CD ' ' N ' ' A' ' 7' ' ' GLN . 49.6 Cg_endo -69.85 151.23 68.47 Favored 'Trans proline' 0 C--N 1.305 -1.734 0 C-N-CA 122.919 2.413 . . . . 0.0 112.099 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 85.2 mtp180 -70.41 144.12 51.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.521 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -61.16 -40.25 98.3 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 58.95 -131.12 51.89 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.835 -0.906 . . . . 0.0 110.835 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -179.87 -176.65 47.48 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.699 ' O ' ' C ' ' A' ' 14' ' ' THR . 50.0 Cg_exo -49.37 -94.82 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.734 0 C-N-CA 122.824 2.349 . . . . 0.0 112.035 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.699 ' C ' ' O ' ' A' ' 13' ' ' PRO . 25.8 p -3.99 89.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.446 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 1.181 ' O ' HD11 ' A' ' 19' ' ' ILE . 5.8 p -135.17 -152.79 0.48 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.652 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.466 ' H ' ' HB2' ' A' ' 15' ' ' SER . 56.4 m -98.73 -16.46 18.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.617 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -83.49 -48.46 10.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.625 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 58.2 tt0 -66.4 -22.54 66.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.609 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 1.181 HD11 ' O ' ' A' ' 15' ' ' SER . 69.0 mt -82.11 -56.13 6.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.613 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 60.8 ttp -52.38 -36.87 54.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.451 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 27.4 mmtp -66.91 -46.67 74.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.558 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 56.6 m -71.95 -7.44 48.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.582 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -79.91 -54.04 4.03 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.563 ' O ' ' OE1' ' A' ' 28' ' ' GLN . . . -78.43 -9.11 59.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.782 0.325 . . . . 0.0 110.516 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.554 ' O ' ' C ' ' A' ' 26' ' ' LEU . 5.3 tt -86.71 -81.14 0.23 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.562 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.554 ' C ' ' O ' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -26.47 -65.95 0.06 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.53 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.543 ' O ' HG12 ' A' ' 31' ' ' ILE . 11.0 mp -51.08 -58.02 7.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.577 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.585 ' N ' ' OE1' ' A' ' 28' ' ' GLN . 4.1 mp0 -47.38 -17.93 0.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.529 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.543 ' O ' ' N ' ' A' ' 31' ' ' ILE . . . -88.76 -72.87 1.28 Allowed Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 42.8 t80 -42.03 -18.84 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.727 0.299 . . . . 0.0 110.579 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.543 HG12 ' O ' ' A' ' 27' ' ' LEU . 31.7 mm -76.97 -69.3 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.532 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.414 ' CD ' ' O ' ' A' ' 32' ' ' GLN . 0.0 OUTLIER -78.82 30.07 0.2 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.59 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.449 ' H ' ' C ' ' A' ' 31' ' ' ILE . 64.8 t0 -112.96 -50.97 2.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.63 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.486 ' NH2' ' OD2' ' A' ' 71' ' ' ASP . 15.9 ptm180 -91.4 -27.0 18.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.586 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.517 ' O ' ' N ' ' A' ' 37' ' ' ARG . . . -99.23 -12.64 20.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.531 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -59.5 76.32 0.01 OUTLIER Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.517 ' N ' ' O ' ' A' ' 35' ' ' ALA . 87.4 mtm180 -66.02 -35.94 81.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.872 0.368 . . . . 0.0 110.613 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.428 ' O ' ' O ' ' A' ' 37' ' ' ARG . 53.9 ttp 57.59 155.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.585 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 100.51 -11.25 59.66 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -80.82 -160.14 23.16 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -64.79 -56.14 15.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.791 0.329 . . . . 0.0 110.525 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -168.72 147.17 3.53 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.57 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -49.22 136.18 30.93 Favored 'Trans proline' 0 C--N 1.305 -1.737 0 C-N-CA 122.818 2.345 . . . . 0.0 112.105 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -91.33 -13.54 32.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.517 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.737 ' CD2' ' N ' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -99.7 68.28 1.53 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.622 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.504 ' O ' ' CG ' ' A' ' 47' ' ' LEU . . . -75.33 137.27 41.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.634 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.607 ' O ' ' C ' ' A' ' 48' ' ' ASP . 1.1 mt 161.7 -145.29 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.583 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.607 ' C ' ' O ' ' A' ' 47' ' ' LEU . 1.5 m-20 21.76 88.89 0.06 OUTLIER Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.477 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -68.26 -23.84 38.41 Favored 'Trans proline' 0 C--N 1.305 -1.759 0 C-N-CA 122.796 2.331 . . . . 0.0 112.323 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.492 HG22 ' O ' ' A' ' 50' ' ' VAL . 3.5 p -166.07 75.27 1.23 Allowed Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.791 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.513 ' O ' ' HB3' ' A' ' 52' ' ' GLN . 25.1 Cg_exo -58.94 167.62 5.34 Favored 'Trans proline' 0 C--N 1.304 -1.768 0 C-N-CA 122.754 2.303 . . . . 0.0 111.917 179.771 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.775 ' O ' ' OD2' ' A' ' 53' ' ' ASP . 13.4 pt20 174.35 -176.5 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.647 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.775 ' OD2' ' O ' ' A' ' 52' ' ' GLN . 0.4 OUTLIER 73.83 115.16 0.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.487 179.93 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -72.88 -6.56 45.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.566 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.414 ' OG ' ' OD1' ' A' ' 53' ' ' ASP . 84.5 p -57.68 -39.02 76.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.562 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.427 HG22 ' O ' ' A' ' 53' ' ' ASP . 9.0 t -82.67 -33.85 27.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.525 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 55.2 tttp -50.46 -54.59 20.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.546 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 29.5 ttpt -60.19 -47.46 85.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.576 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.15 -26.38 68.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.577 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 6.1 t -71.3 -35.46 71.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.548 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -63.72 -31.77 73.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.556 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 93.7 m -64.27 -37.78 88.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.59 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 10.6 mp -75.35 -24.69 57.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.572 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -84.21 -36.68 22.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.589 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.435 ' O ' ' OE2' ' A' ' 69' ' ' GLU . 94.9 mtt180 -68.47 -44.44 74.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.632 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 20.4 tt -76.47 -35.07 25.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.55 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.426 ' O ' ' CB ' ' A' ' 71' ' ' ASP . . . -61.08 -45.36 96.74 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.969 -0.853 . . . . 0.0 110.969 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.461 ' OD1' ' O ' ' A' ' 68' ' ' ASP . 67.7 t0 -62.79 -34.32 77.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.767 0.317 . . . . 0.0 110.512 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.545 ' OE1' ' N ' ' A' ' 69' ' ' GLU . 0.3 OUTLIER -79.57 -58.55 3.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.584 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.3 mt -55.13 -43.07 73.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.549 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.486 ' OD2' ' NH2' ' A' ' 34' ' ' ARG . 53.8 t0 -65.08 -8.71 17.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.561 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.5 t -96.4 7.03 47.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.574 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -92.97 111.5 23.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.485 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.821 ' HE1' ' HZ2' ' B' ' 134' ' ' LYS . 80.3 mmm -68.29 -11.26 59.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.535 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 -80.34 -67.22 0.79 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.578 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 58.4 tp -59.82 -40.34 88.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.627 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.697 ' NE2' ' CD ' ' B' ' 134' ' ' LYS . 58.5 tt0 -61.76 -37.87 85.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.585 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 74.6 ttt180 -68.5 -44.93 73.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.568 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 74.2 mtp -54.5 -43.99 72.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.55 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.413 ' O ' ' CG1' ' A' ' 83' ' ' VAL . 87.0 mt -62.28 -23.8 33.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.616 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -85.91 -18.72 31.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.623 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -86.5 -15.32 40.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.587 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.419 ' O ' ' CG2' ' A' ' 83' ' ' VAL . 1.7 p -89.5 82.89 2.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.494 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.422 ' N ' ' OD1' ' A' ' 84' ' ' ASP . 33.1 p-10 -41.08 162.08 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.583 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.412 HG23 ' HZ1' ' A' ' 123' ' ' LYS . 77.9 p -119.23 119.77 35.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.586 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 53.3 p-10 -148.18 -0.79 0.58 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.447 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.485 ' HG ' ' H ' ' A' ' 90' ' ' GLU . 33.2 t -175.42 87.32 0.3 Allowed Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.489 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.502 ' O ' ' CB ' ' A' ' 92' ' ' PHE . 33.3 Cg_endo -67.54 -16.12 46.46 Favored 'Trans proline' 0 C--N 1.304 -1.764 0 C-N-CA 122.825 2.35 . . . . 0.0 112.103 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 34.4 ptt-85 -84.91 -36.3 21.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.563 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.485 ' H ' ' HG ' ' A' ' 87' ' ' SER . 95.6 mt-10 -77.21 -58.75 3.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.529 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.489 ' CG1' ' N ' ' A' ' 92' ' ' PHE . 10.3 p -55.99 -52.19 52.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.459 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.502 ' CB ' ' O ' ' A' ' 88' ' ' PRO . 81.2 t80 -45.31 -52.83 9.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.556 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 81.1 t80 -67.72 -30.15 69.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.488 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.712 ' NE ' ' HE1' ' A' ' 188' ' ' TRP . 27.2 ttp180 -71.74 -57.25 4.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.544 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.447 ' CG2' ' N ' ' A' ' 96' ' ' ALA . 26.4 m -60.19 -47.97 89.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.48 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.447 ' N ' ' CG2' ' A' ' 95' ' ' VAL . . . -54.99 -27.74 46.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.542 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -81.72 -38.91 25.04 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.578 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 99' ' ' MET . 99.3 m-20 -63.21 -38.64 91.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.546 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' MET . . . . . 0.513 ' HB2' HH21 ' A' ' 109' ' ' ARG . 65.0 mtt -38.36 -68.88 0.14 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.567 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.605 ' CD2' ' O ' ' A' ' 100' ' ' PHE . 16.3 p90 -111.24 57.53 0.62 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.604 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.2 t -74.71 -26.78 60.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.575 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . 0.538 ' O ' ' C ' ' A' ' 103' ' ' GLY . 54.3 p-10 -155.61 -18.35 0.11 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.512 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.538 ' C ' ' O ' ' A' ' 102' ' ' ASP . . . -26.36 -80.7 0.01 OUTLIER Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . 0.605 ' O ' ' CG ' ' A' ' 105' ' ' PHE . 28.7 t-20 174.52 34.4 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.821 0.343 . . . . 0.0 110.617 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.605 ' CG ' ' O ' ' A' ' 104' ' ' ASN . 27.5 p90 42.58 29.13 0.14 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.577 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.54 ' CG ' ' H ' ' A' ' 107' ' ' TRP . 27.6 p30 -52.1 -110.45 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.542 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' TRP . . . . . 0.54 ' H ' ' CG ' ' A' ' 106' ' ' ASN . 6.8 t90 174.57 -26.16 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.534 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . 0.442 ' O ' HG13 ' A' ' 111' ' ' VAL . . . -50.17 -42.12 39.96 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . 0.513 HH21 ' HB2' ' A' ' 99' ' ' MET . 0.0 OUTLIER -48.13 -26.06 1.72 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.762 0.315 . . . . 0.0 110.527 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.476 HG23 ' NE1' ' A' ' 107' ' ' TRP . 36.6 t -52.61 -57.88 3.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.481 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.557 ' CG1' ' N ' ' A' ' 112' ' ' ALA . 4.7 p -45.33 -46.73 3.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.538 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.557 ' N ' ' CG1' ' A' ' 111' ' ' VAL . . . -58.07 -35.04 70.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.556 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.1 tt -56.94 -46.72 81.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.513 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.445 ' CZ ' ' CG1' ' A' ' 110' ' ' VAL . 9.9 m-85 -57.19 -44.07 83.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.577 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 91.9 t80 -67.98 -43.58 78.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.57 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 92.5 t80 -59.11 -41.85 89.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.643 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -70.94 -32.52 69.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.575 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 4.8 t -48.62 -44.25 37.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.531 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.816 ' O ' ' CB ' ' A' ' 123' ' ' LYS . 54.9 mmtt -60.0 -43.66 95.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.54 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 55.2 mt -68.08 -31.06 70.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.547 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.413 ' O ' ' CD1' ' A' ' 133' ' ' ILE . 57.7 t -77.28 -53.54 14.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.546 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 69.7 mt -72.93 -40.83 65.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.547 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.816 ' CB ' ' O ' ' A' ' 119' ' ' LYS . 64.4 tttm -58.13 -41.09 82.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.572 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.517 ' O ' ' OG1' ' A' ' 127' ' ' THR . . . -75.88 -21.17 57.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.602 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 6.2 tt -63.89 -31.47 72.66 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.574 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 8.4 t -84.35 -34.77 23.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.573 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' THR . . . . . 0.742 ' O ' ' HB2' ' A' ' 128' ' ' LYS . 33.2 p -54.22 -18.89 4.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.559 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.742 ' HB2' ' O ' ' A' ' 127' ' ' THR . 17.6 mtpp 87.56 44.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.594 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . 0.487 ' CG2' ' OG1' ' A' ' 127' ' ' THR . 0.3 OUTLIER -148.11 88.23 5.53 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.585 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -70.08 -14.93 35.65 Favored 'Trans proline' 0 C--N 1.305 -1.715 0 C-N-CA 122.736 2.291 . . . . 0.0 112.063 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -63.69 -42.26 98.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.516 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 8.4 mp -59.79 -34.11 72.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.538 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . 0.413 ' CD1' ' O ' ' A' ' 121' ' ' VAL . 22.3 mm -56.86 -50.23 76.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.482 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . 0.455 HH22 ' HB1' ' A' ' 46' ' ' ALA . 92.0 mtt-85 -69.01 -34.91 76.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.529 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 14.6 m -67.11 -32.04 72.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.513 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 45.3 mt -69.61 -58.88 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.573 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' MET . . . . . 0.43 ' O ' ' OG1' ' A' ' 140' ' ' THR . 3.8 ptt? -46.46 -25.44 0.67 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.552 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -68.65 -40.49 85.69 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -66.29 -24.46 66.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.872 0.367 . . . . 0.0 110.584 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' THR . . . . . 0.469 ' OG1' ' N ' ' A' ' 141' ' ' LEU . 23.2 p -75.58 -65.82 0.85 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.538 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . 0.469 ' N ' ' OG1' ' A' ' 140' ' ' THR . 52.5 mt -51.75 -33.68 35.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.569 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 43.3 t0 -65.68 -51.04 62.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.591 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . 0.489 ' O ' ' HB2' ' A' ' 147' ' ' ARG . 35.4 t80 -66.79 -38.91 87.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.586 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 1.8 tp -71.13 -35.49 71.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.535 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 58.7 ttp180 -83.01 -10.65 58.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.538 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -112.02 -4.56 14.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.566 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . 1.154 ' O ' ' N ' ' A' ' 149' ' ' LEU . 25.9 mmt180 -142.18 -110.85 0.13 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.599 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . 0.694 ' O ' ' N ' ' A' ' 152' ' ' ILE . 1.1 mm? -15.36 -27.77 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.568 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . 1.154 ' N ' ' O ' ' A' ' 147' ' ' ARG . 48.5 tp -49.11 -56.31 9.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.581 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -63.92 -50.6 59.81 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 151' ' ' TRP . . . . . . . . . . . . . 99.5 m95 -66.31 -55.81 14.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.719 0.295 . . . . 0.0 110.555 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 152' ' ' ILE . . . . . 0.694 ' N ' ' O ' ' A' ' 148' ' ' LEU . 10.7 tt -51.32 -34.29 14.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.524 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . 0.401 ' N ' HG22 ' A' ' 152' ' ' ILE . 58.3 tt0 -67.52 -31.19 71.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.539 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 53.7 t0 -89.17 -4.51 58.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.588 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -97.58 0.86 48.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.597 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 83.64 24.6 49.51 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 89.86 -160.25 28.54 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.866 -0.893 . . . . 0.0 110.866 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . 33.2 m95 -73.93 -5.71 42.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.842 0.353 . . . . 0.0 110.583 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -60.91 -42.44 98.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.557 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -54.48 -32.16 52.44 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 2.2 tt -62.9 -54.06 44.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.785 0.326 . . . . 0.0 110.559 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 47.4 tp -67.15 -30.96 71.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.55 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 21.1 t -66.92 -26.13 66.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.54 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 164' ' ' TYR . . . . . 0.42 ' C ' ' H ' ' A' ' 166' ' ' GLY . 92.8 t80 -76.87 -42.55 39.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.564 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -71.59 48.2 0.14 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.619 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 166' ' ' GLY . . . . . 0.42 ' H ' ' C ' ' A' ' 164' ' ' TYR . . . -131.34 39.44 1.77 Allowed Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 167' ' ' THR . . . . . 1.036 ' OG1' ' HD2' ' A' ' 168' ' ' PRO . 0.6 OUTLIER -108.78 179.15 0.89 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 120.876 0.37 . . . . 0.0 110.539 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 168' ' ' PRO . . . . . 1.036 ' HD2' ' OG1' ' A' ' 167' ' ' THR . 44.4 Cg_endo -71.83 -145.77 0.02 OUTLIER 'Trans proline' 0 C--N 1.304 -1.783 0 C-N-CA 122.837 2.358 . . . . 0.0 112.113 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 169' ' ' THR . . . . . 0.585 ' C ' ' O ' ' A' ' 168' ' ' PRO . 29.9 p -23.72 102.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.558 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 170' ' ' TRP . . . . . 0.616 ' O ' HG23 ' A' ' 173' ' ' VAL . 28.6 p90 -65.21 -18.58 65.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.606 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 171' ' ' GLN . . . . . 0.535 ' NE2' ' OG1' ' A' ' 172' ' ' THR . 5.4 pp0? -46.95 -14.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.542 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 172' ' ' THR . . . . . 0.535 ' OG1' ' NE2' ' A' ' 171' ' ' GLN . 98.3 m -86.92 -29.51 22.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.598 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 173' ' ' VAL . . . . . 0.616 HG23 ' O ' ' A' ' 170' ' ' TRP . 2.1 m -72.14 -45.65 61.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.557 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 174' ' ' THR . . . . . 0.568 ' N ' ' CG2' ' A' ' 173' ' ' VAL . 25.8 m -64.5 -24.89 67.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.596 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 175' ' ' ILE . . . . . 0.417 ' O ' ' CG2' ' A' ' 175' ' ' ILE . 89.5 mt -85.83 -7.42 10.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.612 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 176' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -94.69 -60.06 1.79 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.55 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 3.1 m -62.03 -16.79 16.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.581 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 178' ' ' ALA . . . . . 0.639 ' O ' ' OG1' ' A' ' 182' ' ' THR . . . -95.54 -45.87 6.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.537 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -62.37 -26.18 67.67 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 180' ' ' VAL . . . . . 0.517 ' CG1' ' N ' ' A' ' 181' ' ' LEU . 13.6 p -86.13 -51.76 12.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.889 0.376 . . . . 0.0 110.607 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . 0.517 ' N ' ' CG1' ' A' ' 180' ' ' VAL . 45.0 tp -69.31 -48.01 62.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.563 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 182' ' ' THR . . . . . 0.639 ' OG1' ' O ' ' A' ' 178' ' ' ALA . 24.8 m -50.45 -51.46 46.58 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.585 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -47.32 -45.67 24.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.571 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 184' ' ' SER . . . . . . . . . . . . . 27.7 t -54.5 -37.88 65.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.527 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 62.6 mt -77.63 -21.64 51.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.675 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 21.5 m -73.24 -44.87 58.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.597 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 187' ' ' ILE . . . . . 0.503 ' O ' ' C ' ' A' ' 188' ' ' TRP . 12.3 tt -73.7 -51.67 23.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.548 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 188' ' ' TRP . . . . . 0.712 ' HE1' ' NE ' ' A' ' 94' ' ' ARG . 6.7 t90 -30.71 -56.86 0.21 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.59 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 7.6 mmtt -175.83 128.25 0.24 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.556 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 190' ' ' LYS . . . . . . . . . . . . . 14.2 ptmt -109.88 89.52 3.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.575 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 191' ' ' MET . . . . . . . . . . . . . 93.7 mtp -128.56 136.62 50.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.618 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.769 0 CA-C-O 117.981 -1.455 . . . . 0.0 110.944 179.996 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 130' ' ' CYS . . . . . . . . . . . . . 26.5 p . . . . . 0 N--CA 1.489 1.518 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 131' ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -64.5 -55.8 18.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.597 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -52.74 167.58 0.14 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.552 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 60.9 tp -57.6 -39.88 77.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.562 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 134' ' ' LYS . . . . . 0.821 ' HZ2' ' HE1' ' A' ' 74' ' ' MET . 50.5 tttm -176.98 -76.79 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.571 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 135' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -143.29 149.98 38.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.637 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 136' ' ' ALA . . . . . 0.457 ' HB3' HH21 ' B' ' 141' ' ' ARG . . . -144.83 134.77 23.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.511 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 137' ' ' LEU . . . . . 0.718 ' H ' ' NH2' ' B' ' 141' ' ' ARG . 7.0 mp -97.45 133.74 41.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.618 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 138' ' ' ARG . . . . . 0.498 ' O ' ' HB2' ' B' ' 142' ' ' PHE . 34.1 mmt180 -89.67 -9.86 47.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.496 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 139' ' ' ARG . . . . . . . . . . . . . 75.4 ttt180 -61.8 -44.7 96.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.505 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 140' ' ' HIS . . . . . 0.692 ' O ' ' N ' ' B' ' 143' ' ' LEU . 31.2 t-80 -79.5 -65.14 1.04 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.516 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 141' ' ' ARG . . . . . 0.718 ' NH2' ' H ' ' B' ' 137' ' ' LEU . 1.2 mpp_? -34.81 -31.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.421 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 142' ' ' PHE . . . . . 0.544 ' N ' ' O ' ' B' ' 140' ' ' HIS . 12.1 m-85 -93.07 -29.14 15.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.442 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 143' ' ' LEU . . . . . 0.692 ' N ' ' O ' ' B' ' 140' ' ' HIS . 33.8 tp -58.69 -34.43 71.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.587 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 144' ' ' TRP . . . . . 0.474 ' O ' ' C ' ' B' ' 145' ' ' GLN . 59.7 t-105 -85.65 -55.69 3.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.6 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 145' ' ' GLN . . . . . 0.474 ' C ' ' O ' ' B' ' 144' ' ' TRP . 5.1 tm0? -33.87 -71.39 0.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.618 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 146' ' ' ARG . . . . . . . . . . . . . 67.0 ttt180 -94.02 117.66 30.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.686 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 147' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -155.52 108.51 2.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.562 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 148' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -72.12 -39.26 68.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.567 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 85.4 mtm-85 -109.33 119.27 38.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.552 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 150' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.463 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.511 -179.968 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.52 ' O ' ' C ' ' A' ' 2' ' ' ASP . 8.2 ptt? . . . . . 0 N--CA 1.491 1.591 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.538 ' OD1' ' N ' ' A' ' 3' ' ' GLY . 40.3 p-10 -30.62 -66.56 0.1 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.544 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.538 ' N ' ' OD1' ' A' ' 2' ' ' ASP . . . 78.74 -87.55 1.15 Allowed Glycine 0 CA--C 1.523 0.584 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 56.9 m -84.9 -72.01 0.5 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.815 0.341 . . . . 0.0 110.58 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -167.49 -145.9 4.69 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.876 -0.89 . . . . 0.0 110.876 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.807 ' O ' ' CB ' ' A' ' 7' ' ' GLN . 0.4 OUTLIER -146.35 95.58 2.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.825 0.345 . . . . 0.0 110.702 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.852 ' H ' ' CD ' ' A' ' 8' ' ' PRO . 8.4 tp-100 119.21 34.49 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.597 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.852 ' CD ' ' H ' ' A' ' 7' ' ' GLN . 56.3 Cg_endo -75.71 133.97 16.15 Favored 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 122.874 2.383 . . . . 0.0 112.05 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 32.0 mtp180 -78.36 85.16 4.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.609 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.637 ' O ' ' C ' ' A' ' 11' ' ' GLY . . . 168.94 28.86 0.02 OUTLIER Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.637 ' C ' ' O ' ' A' ' 10' ' ' GLY . . . -14.59 119.71 0.01 OUTLIER Glycine 0 CA--C 1.524 0.65 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.821 ' N ' ' HD3' ' A' ' 13' ' ' PRO . . . 75.02 36.66 45.8 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.821 ' HD3' ' N ' ' A' ' 12' ' ' GLY . 52.6 Cg_exo -50.38 -41.43 51.45 Favored 'Trans proline' 0 C--N 1.304 -1.766 0 C-N-CA 122.859 2.373 . . . . 0.0 112.128 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -85.94 46.34 1.31 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.561 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.501 ' O ' HD11 ' A' ' 19' ' ' ILE . 13.9 p -92.54 -166.34 1.52 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.605 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.1 m -85.13 -2.89 58.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.585 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.413 ' HA ' ' OE1' ' A' ' 17' ' ' GLU . 66.7 mm-40 -87.96 -48.19 7.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.591 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 68.4 tp60 -68.17 -22.68 64.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.63 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.501 HD11 ' O ' ' A' ' 15' ' ' SER . 69.4 mt -82.5 -56.68 5.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.531 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 27.5 ttt -51.93 -36.97 50.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.5 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 27.4 mmtp -66.71 -46.91 74.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.502 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 88.1 m -72.14 -6.48 42.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.531 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -80.69 -54.01 3.83 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.86 ' O ' ' HB3' ' A' ' 28' ' ' GLN . . . -78.72 -8.72 59.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.791 0.329 . . . . 0.0 110.462 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.547 ' O ' ' C ' ' A' ' 26' ' ' LEU . 2.6 mp -86.99 -81.15 0.23 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.55 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.547 ' C ' ' O ' ' A' ' 25' ' ' LEU . 50.3 tp -26.41 -65.94 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.583 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.424 ' O ' HG13 ' A' ' 31' ' ' ILE . 10.6 mp -51.07 -58.08 7.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.569 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.86 ' HB3' ' O ' ' A' ' 24' ' ' ALA . 0.4 OUTLIER -47.27 -17.82 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.554 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.546 ' O ' ' N ' ' A' ' 31' ' ' ILE . . . -88.9 -72.84 1.28 Allowed Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.849 -0.9 . . . . 0.0 110.849 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -42.13 -18.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.798 0.332 . . . . 0.0 110.578 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.546 ' N ' ' O ' ' A' ' 29' ' ' GLY . 71.8 mt -76.98 -69.29 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.505 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.531 ' CD ' ' O ' ' A' ' 32' ' ' GLN . 5.3 pp0? -78.86 30.12 0.2 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.532 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.454 ' H ' ' C ' ' A' ' 31' ' ' ILE . 67.4 t0 -113.03 -50.94 2.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.58 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.428 ' NH2' ' OD2' ' A' ' 71' ' ' ASP . 16.1 ptm180 -91.42 -26.96 18.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.576 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -98.9 -13.19 20.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.516 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -75.13 159.32 51.71 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 27.1 mmt180 -65.49 -96.41 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.856 0.36 . . . . 0.0 110.604 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 88.9 mtp -139.28 135.83 34.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.566 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 79.26 4.82 89.15 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 65.16 72.27 0.75 Allowed Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -73.31 -36.77 66.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.816 0.341 . . . . 0.0 110.542 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.622 ' HB1' ' O ' ' A' ' 45' ' ' LEU . . . 63.9 48.68 0.88 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.571 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.596 ' HD3' ' N ' ' A' ' 42' ' ' ALA . 63.4 Cg_exo -45.98 -74.92 0.04 OUTLIER 'Trans proline' 0 C--N 1.306 -1.663 0 C-N-CA 122.813 2.342 . . . . 0.0 112.067 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.599 ' H ' ' CD ' ' A' ' 44' ' ' GLU . 1.4 pm0 -79.32 -19.5 50.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.461 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.622 ' O ' ' HB1' ' A' ' 42' ' ' ALA . 14.0 tp -87.58 75.74 9.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.535 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -88.59 131.99 34.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.56 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 18.7 tp -168.86 -88.63 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.595 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.608 ' N ' ' HD3' ' A' ' 49' ' ' PRO . 14.0 t70 -169.25 54.08 0.24 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.592 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.608 ' HD3' ' N ' ' A' ' 48' ' ' ASP . 32.2 Cg_exo -54.02 -177.3 0.04 OUTLIER 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 122.75 2.3 . . . . 0.0 112.052 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.61 ' N ' ' HD3' ' A' ' 51' ' ' PRO . 8.5 t 70.13 51.82 0.4 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.684 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.61 ' HD3' ' N ' ' A' ' 50' ' ' VAL . 53.1 Cg_exo -50.63 150.11 12.62 Favored 'Trans proline' 0 C--N 1.306 -1.692 0 C-N-CA 122.685 2.256 . . . . 0.0 112.081 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 29.5 pt20 -99.99 -28.53 13.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.556 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.477 ' OD2' ' OG ' ' A' ' 55' ' ' SER . 67.3 t0 -91.05 132.57 35.93 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.587 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.441 ' N ' ' OD1' ' A' ' 53' ' ' ASP . . . -81.32 -1.18 44.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.585 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.477 ' OG ' ' OD2' ' A' ' 53' ' ' ASP . 77.3 p -61.54 -38.86 88.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.578 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.7 m -83.58 -33.8 25.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.614 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 64.4 mmtt -49.77 -55.17 15.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.558 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 30.5 ttpt -59.32 -48.32 82.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.566 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.44 -26.13 67.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.601 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.4 t -71.63 -35.22 70.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.534 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 76.1 mt-10 -64.13 -31.57 72.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.559 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 91.5 m -64.38 -37.79 88.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.591 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.455 ' CD1' ' N ' ' A' ' 63' ' ' LEU . 8.6 mp -75.33 -24.64 57.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.524 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -84.25 -36.75 22.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.591 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.445 ' O ' ' OE2' ' A' ' 69' ' ' GLU . 99.7 mtt180 -68.45 -44.49 74.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.555 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 20.6 tt -76.41 -35.1 26.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.591 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.424 ' O ' ' CB ' ' A' ' 71' ' ' ASP . . . -60.99 -45.44 96.6 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.438 ' OD1' ' O ' ' A' ' 68' ' ' ASP . 68.2 t0 -62.74 -34.29 76.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.747 0.308 . . . . 0.0 110.595 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.534 ' OE1' ' N ' ' A' ' 69' ' ' GLU . 0.3 OUTLIER -79.62 -58.51 3.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.577 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.09 -43.12 73.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.609 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.428 ' OD2' ' NH2' ' A' ' 34' ' ' ARG . 54.0 t0 -65.06 -8.71 17.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.622 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.6 t -96.38 6.99 47.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.559 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -92.94 111.53 23.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.581 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 96.7 mmm -68.36 -11.14 59.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.626 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -80.42 -67.26 0.79 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.542 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 7.3 tp -59.83 -40.26 87.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.585 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 4.3 tm0? -61.8 -37.96 86.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.522 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 76.3 ttt180 -68.45 -44.87 73.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.653 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 74.4 mtp -54.51 -43.99 72.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.532 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.507 ' O ' HG12 ' A' ' 83' ' ' VAL . 84.3 mt -62.33 -23.68 32.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.605 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -86.1 -18.68 31.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.576 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -86.43 -15.41 40.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.566 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.613 ' O ' ' CG1' ' A' ' 83' ' ' VAL . 8.0 p -89.37 82.46 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.566 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.451 ' O ' ' O ' ' A' ' 83' ' ' VAL . 50.1 p30 -39.9 162.76 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.534 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 61.7 p -120.04 118.62 31.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.595 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -147.6 -0.35 0.65 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.528 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.444 ' HG ' ' H ' ' A' ' 90' ' ' GLU . 31.7 t -176.0 90.11 0.28 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.534 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.485 ' O ' ' CB ' ' A' ' 92' ' ' PHE . 41.0 Cg_endo -70.76 -14.14 32.7 Favored 'Trans proline' 0 C--N 1.304 -1.797 0 C-N-CA 122.792 2.328 . . . . 0.0 112.086 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 33.9 ptt-85 -86.83 -34.46 19.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.484 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.444 ' H ' ' HG ' ' A' ' 87' ' ' SER . 96.2 mt-10 -79.55 -57.7 3.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.588 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.479 ' CG1' ' N ' ' A' ' 92' ' ' PHE . 10.1 p -56.87 -51.24 70.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.517 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.485 ' CB ' ' O ' ' A' ' 88' ' ' PRO . 85.4 t80 -46.42 -51.84 14.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.472 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -68.24 -30.38 69.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.475 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 15.8 tpp180 -71.74 -57.72 4.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.555 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.446 ' CG2' ' N ' ' A' ' 96' ' ' ALA . 28.5 m -59.47 -47.98 88.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.537 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.446 ' N ' ' CG2' ' A' ' 95' ' ' VAL . . . -55.22 -27.76 48.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.548 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -81.78 -38.76 25.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.577 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 99' ' ' MET . 99.9 m-20 -63.3 -38.6 91.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.537 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' MET . . . . . 0.515 ' HB2' HH21 ' A' ' 109' ' ' ARG . 63.7 mtt -38.48 -68.76 0.14 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.542 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.604 ' CD2' ' O ' ' A' ' 100' ' ' PHE . 17.1 p90 -111.34 57.44 0.63 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.528 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.2 t -74.63 -26.84 60.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.527 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . 0.554 ' O ' ' C ' ' A' ' 103' ' ' GLY . 55.1 p-10 -155.58 -18.39 0.11 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.58 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.554 ' C ' ' O ' ' A' ' 102' ' ' ASP . . . -26.31 -80.71 0.01 OUTLIER Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . 0.607 ' O ' ' CG ' ' A' ' 105' ' ' PHE . 8.5 m-20 174.53 34.34 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.825 0.345 . . . . 0.0 110.598 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.607 ' CG ' ' O ' ' A' ' 104' ' ' ASN . 29.0 p90 42.64 28.97 0.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.57 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.554 ' CG ' ' H ' ' A' ' 107' ' ' TRP . 29.1 p30 -52.09 -110.58 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.548 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' TRP . . . . . 0.554 ' H ' ' CG ' ' A' ' 106' ' ' ASN . 6.8 t90 174.8 -26.31 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.583 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . 0.439 ' O ' HG13 ' A' ' 111' ' ' VAL . . . -49.91 -42.2 37.88 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . 0.515 HH21 ' HB2' ' A' ' 99' ' ' MET . 0.0 OUTLIER -48.05 -26.27 1.75 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.851 0.357 . . . . 0.0 110.581 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.477 HG23 ' NE1' ' A' ' 107' ' ' TRP . 33.0 t -52.43 -57.88 3.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.563 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.554 ' CG1' ' N ' ' A' ' 112' ' ' ALA . 4.7 p -45.31 -46.63 3.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.545 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.554 ' N ' ' CG1' ' A' ' 111' ' ' VAL . . . -58.21 -35.21 71.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.516 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.1 tt -56.69 -46.89 80.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.503 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.446 ' CZ ' ' CG1' ' A' ' 110' ' ' VAL . 10.0 m-85 -57.05 -44.17 82.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.471 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 92.7 t80 -68.0 -43.78 78.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.511 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 92.9 t80 -58.89 -41.93 88.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.57 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -70.83 -32.62 69.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.53 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 4.9 t -48.53 -44.6 36.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.593 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.817 ' O ' ' CB ' ' A' ' 123' ' ' LYS . 55.4 mmtt -59.44 -43.69 93.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.578 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 53.7 mt -68.05 -31.68 71.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.544 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 78.6 t -76.83 -53.31 15.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.608 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.408 ' O ' ' HB3' ' A' ' 125' ' ' LEU . 71.8 mt -73.03 -41.05 64.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.621 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.817 ' CB ' ' O ' ' A' ' 119' ' ' LYS . 38.6 ttmt -58.09 -41.16 82.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.616 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.524 ' O ' ' OG1' ' A' ' 127' ' ' THR . . . -75.48 -22.14 57.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.56 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.408 ' HB3' ' O ' ' A' ' 122' ' ' LEU . 33.8 tp -63.03 -32.06 73.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.513 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . 0.474 ' SG ' ' N ' ' A' ' 127' ' ' THR . 0.1 OUTLIER -83.3 -35.79 24.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.494 -179.914 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' THR . . . . . 0.756 ' O ' ' HB2' ' A' ' 128' ' ' LYS . 36.0 p -53.45 -18.57 2.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.579 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.756 ' HB2' ' O ' ' A' ' 127' ' ' THR . 53.6 mttp 87.72 43.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.575 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . 0.515 ' CG2' ' OG1' ' A' ' 127' ' ' THR . 0.2 OUTLIER -147.07 91.47 5.14 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.67 -179.944 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . 0.98 ' O ' HG12 ' A' ' 133' ' ' ILE . 53.1 Cg_endo -73.6 -12.93 24.81 Favored 'Trans proline' 0 C--N 1.306 -1.702 0 C-N-CA 122.836 2.357 . . . . 0.0 112.039 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 46.5 tt0 -65.94 -40.1 91.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.52 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 8.5 mp -62.1 -33.95 75.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.517 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . 0.98 HG12 ' O ' ' A' ' 130' ' ' PRO . 2.3 pt -56.83 -50.25 75.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.482 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . 0.641 ' N ' ' CG1' ' A' ' 133' ' ' ILE . 42.9 ttm180 -68.86 -34.72 75.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.528 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 8.2 m -67.45 -31.68 72.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.553 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 46.9 mt -70.06 -58.61 5.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.494 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' MET . . . . . 0.419 ' O ' ' OG1' ' A' ' 140' ' ' THR . 95.0 mtp -46.65 -25.54 0.74 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.482 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -68.74 -40.36 85.38 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' TRP . . . . . 0.507 ' CD1' ' N ' ' A' ' 139' ' ' TRP . 13.4 m0 -66.32 -24.49 66.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.851 0.357 . . . . 0.0 110.539 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' THR . . . . . 0.478 ' OG1' ' N ' ' A' ' 141' ' ' LEU . 20.3 p -75.51 -65.83 0.85 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.563 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . 0.478 ' N ' ' OG1' ' A' ' 140' ' ' THR . 55.2 mt -51.82 -33.59 36.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.531 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -65.8 -50.97 62.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.599 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . 0.442 ' O ' ' HB2' ' A' ' 147' ' ' ARG . 5.4 t80 -66.84 -38.96 87.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.502 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 1.8 tp -71.04 -35.5 71.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.561 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 59.1 ttp180 -83.01 -10.65 58.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.537 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -112.09 -4.63 14.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.484 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . 1.146 ' O ' ' N ' ' A' ' 149' ' ' LEU . 11.5 mtp180 -142.17 -110.83 0.13 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.584 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . 0.701 ' O ' ' N ' ' A' ' 152' ' ' ILE . 1.0 OUTLIER -15.48 -27.73 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.563 -179.951 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . 1.146 ' N ' ' O ' ' A' ' 147' ' ' ARG . 57.3 tp -49.01 -56.31 9.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.683 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -63.91 -50.55 60.23 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 151' ' ' TRP . . . . . . . . . . . . . 99.5 m95 -66.3 -55.79 14.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.87 0.367 . . . . 0.0 110.632 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 152' ' ' ILE . . . . . 0.701 ' N ' ' O ' ' A' ' 148' ' ' LEU . 10.5 tt -51.34 -34.34 14.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.597 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . 0.401 ' N ' HG22 ' A' ' 152' ' ' ILE . 11.1 mt-30 -67.41 -31.37 71.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.554 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 53.6 t0 -88.92 -4.61 58.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.558 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -97.49 0.8 48.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.582 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 83.69 24.69 49.02 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 89.74 -160.43 28.84 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 158' ' ' TRP . . . . . 0.405 ' HE1' HG23 ' A' ' 19' ' ' ILE . 37.0 m95 -73.79 -5.85 43.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.801 0.334 . . . . 0.0 110.554 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -60.8 -42.42 97.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.539 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -54.45 -32.34 52.44 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 2.0 tt -62.72 -54.2 42.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.854 0.359 . . . . 0.0 110.6 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 47.6 tp -66.77 -31.34 71.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.588 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 6.1 t -66.55 -26.68 67.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.531 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 164' ' ' TYR . . . . . 0.42 ' C ' ' H ' ' A' ' 166' ' ' GLY . 94.1 t80 -76.03 -42.85 46.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.584 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -71.75 47.91 0.15 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.597 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 166' ' ' GLY . . . . . 0.42 ' H ' ' C ' ' A' ' 164' ' ' TYR . . . -130.68 39.16 1.83 Allowed Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 167' ' ' THR . . . . . 1.152 ' OG1' ' HD2' ' A' ' 168' ' ' PRO . 0.6 OUTLIER -108.64 -177.24 0.46 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 120.909 0.385 . . . . 0.0 110.564 -179.949 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 168' ' ' PRO . . . . . 1.152 ' HD2' ' OG1' ' A' ' 167' ' ' THR . 58.6 Cg_endo -76.51 -147.38 0.03 OUTLIER 'Trans proline' 0 C--N 1.305 -1.728 0 C-N-CA 122.81 2.34 . . . . 0.0 112.132 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 169' ' ' THR . . . . . 0.602 ' C ' ' O ' ' A' ' 168' ' ' PRO . 80.3 p -21.08 99.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.581 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 170' ' ' TRP . . . . . 0.618 ' O ' HG23 ' A' ' 173' ' ' VAL . 32.4 p90 -63.64 -18.66 64.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.571 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 171' ' ' GLN . . . . . . . . . . . . . 2.6 pp0? -47.02 -13.88 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.589 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 172' ' ' THR . . . . . 0.505 ' H ' ' C ' ' A' ' 170' ' ' TRP . 4.7 m -87.47 -29.53 21.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.526 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 173' ' ' VAL . . . . . 0.618 HG23 ' O ' ' A' ' 170' ' ' TRP . 2.0 m -72.05 -45.59 62.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.619 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 174' ' ' THR . . . . . 0.558 ' N ' ' CG2' ' A' ' 173' ' ' VAL . 25.1 m -64.61 -24.88 67.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.589 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 175' ' ' ILE . . . . . 0.429 HG23 ' O ' ' A' ' 172' ' ' THR . 1.7 tt -85.8 -7.49 10.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.535 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 176' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -94.64 -60.16 1.77 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.544 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 3.2 m -62.09 -16.76 16.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.5 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 178' ' ' ALA . . . . . 0.639 ' O ' ' OG1' ' A' ' 182' ' ' THR . . . -95.47 -45.9 6.9 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.605 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -62.33 -26.24 67.69 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 180' ' ' VAL . . . . . 0.522 ' CG1' ' N ' ' A' ' 181' ' ' LEU . 13.6 p -86.17 -51.67 12.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.761 0.315 . . . . 0.0 110.573 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . 0.522 ' N ' ' CG1' ' A' ' 180' ' ' VAL . 40.6 tp -69.3 -48.01 62.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.585 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 182' ' ' THR . . . . . 0.639 ' OG1' ' O ' ' A' ' 178' ' ' ALA . 25.3 m -50.5 -51.4 47.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.515 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -47.33 -45.76 24.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.548 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 184' ' ' SER . . . . . . . . . . . . . 28.3 t -54.46 -37.89 65.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.506 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 60.4 mt -77.64 -21.76 51.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.542 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 21.8 m -73.22 -44.86 58.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.563 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 187' ' ' ILE . . . . . 0.51 ' O ' ' C ' ' A' ' 188' ' ' TRP . 12.7 tt -73.67 -51.63 24.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.546 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 188' ' ' TRP . . . . . 0.51 ' C ' ' O ' ' A' ' 187' ' ' ILE . 0.2 OUTLIER -30.75 -56.87 0.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.608 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 7.8 mmtt -175.81 128.24 0.24 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.57 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 190' ' ' LYS . . . . . . . . . . . . . 35.2 pttt -109.83 89.56 3.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.551 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 191' ' ' MET . . . . . . . . . . . . . 84.6 mtp -128.64 136.59 50.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.557 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.739 0 CA-C-O 118.013 -1.437 . . . . 0.0 110.918 -179.982 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 130' ' ' CYS . . . . . 0.505 ' O ' ' SG ' ' B' ' 130' ' ' CYS . 46.1 t . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 131' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -72.03 -42.78 65.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.573 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -152.59 87.22 1.29 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.57 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 133' ' ' LEU . . . . . 0.461 ' O ' ' HB3' ' B' ' 134' ' ' LYS . 4.4 mm? 56.3 53.57 8.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.592 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 134' ' ' LYS . . . . . 0.461 ' HB3' ' O ' ' B' ' 133' ' ' LEU . 64.1 tttm 66.62 -83.73 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.578 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 135' ' ' LYS . . . . . 0.408 ' CG ' ' O ' ' B' ' 134' ' ' LYS . 51.8 mtmt -158.12 134.59 9.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.612 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 136' ' ' ALA . . . . . . . . . . . . . . . -72.73 143.78 47.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.549 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 40.4 mt -83.79 80.69 9.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.592 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 138' ' ' ARG . . . . . . . . . . . . . 83.6 mtt85 -64.2 -34.16 77.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.509 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 139' ' ' ARG . . . . . . . . . . . . . 83.5 mtp180 -61.61 -45.15 95.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.577 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 140' ' ' HIS . . . . . 0.713 ' O ' ' N ' ' B' ' 143' ' ' LEU . 61.1 m80 -78.78 -66.55 0.85 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.541 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 141' ' ' ARG . . . . . 0.496 ' C ' ' O ' ' B' ' 140' ' ' HIS . 71.9 ttp85 -31.62 -33.76 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.521 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 142' ' ' PHE . . . . . 0.58 ' N ' ' O ' ' B' ' 140' ' ' HIS . 13.1 t80 -90.3 -33.22 16.19 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.432 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 143' ' ' LEU . . . . . 0.713 ' N ' ' O ' ' B' ' 140' ' ' HIS . 33.6 tp -54.42 -36.47 64.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.488 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 144' ' ' TRP . . . . . 0.487 ' O ' ' C ' ' B' ' 145' ' ' GLN . 66.4 t-105 -84.82 -56.73 3.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.471 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 145' ' ' GLN . . . . . 0.487 ' C ' ' O ' ' B' ' 144' ' ' TRP . 13.3 tm0? -32.81 -65.81 0.15 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.503 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 146' ' ' ARG . . . . . 0.433 ' HG2' ' H ' ' B' ' 148' ' ' GLN . 62.5 ttm-85 -56.42 141.53 41.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.536 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 147' ' ' ARG . . . . . . . . . . . . . 85.8 mtm-85 -54.58 -42.16 70.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.518 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 148' ' ' GLN . . . . . 0.498 ' C ' ' H ' ' B' ' 150' ' ' ALA . 43.4 mm-40 49.88 37.65 14.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.524 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 21.2 mmt85 47.96 13.85 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.577 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 150' ' ' ALA . . . . . 0.498 ' H ' ' C ' ' B' ' 148' ' ' GLN . . . . . . . . 0 C--O 1.221 -0.424 0 CA-C-O 117.959 -1.02 . . . . 0.0 110.53 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.5 ptt? . . . . . 0 N--CA 1.489 1.518 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 1.007 ' OD1' ' N ' ' A' ' 3' ' ' GLY . 50.6 p-10 -61.97 -58.33 8.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.542 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 1.007 ' N ' ' OD1' ' A' ' 2' ' ' ASP . . . 79.77 -49.83 3.75 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 70.2 m -122.05 -40.52 2.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.745 0.307 . . . . 0.0 110.627 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 158.7 171.49 24.6 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.982 ' O ' ' HB3' ' A' ' 7' ' ' GLN . 0.7 OUTLIER -117.03 98.66 6.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.821 0.343 . . . . 0.0 110.56 -179.944 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.982 ' HB3' ' O ' ' A' ' 6' ' ' GLU . 3.4 tp-100 100.38 69.95 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.532 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 1.144 ' O ' ' O ' ' A' ' 9' ' ' ARG . 51.1 Cg_exo -47.86 142.84 14.17 Favored 'Trans proline' 0 C--N 1.303 -1.853 0 C-N-CA 122.848 2.366 . . . . 0.0 112.125 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 1.144 ' O ' ' O ' ' A' ' 8' ' ' PRO . 24.5 mtp180 0.97 147.88 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.425 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -144.24 -31.79 0.09 OUTLIER Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -49.4 103.08 0.07 OUTLIER Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.417 ' H ' ' HD3' ' A' ' 13' ' ' PRO . . . 109.05 69.64 0.65 Allowed Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 1.334 ' O ' ' N ' ' A' ' 15' ' ' SER . 48.8 Cg_exo -51.46 -81.92 0.01 OUTLIER 'Trans proline' 0 C--N 1.304 -1.768 0 C-N-CA 122.723 2.282 . . . . 0.0 112.068 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.609 ' C ' ' O ' ' A' ' 13' ' ' PRO . 32.7 p -19.29 47.16 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.623 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 1.334 ' N ' ' O ' ' A' ' 13' ' ' PRO . 1.5 p -118.94 -149.63 0.44 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.522 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.453 ' H ' ' HB2' ' A' ' 15' ' ' SER . 21.2 m -102.11 -13.46 17.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.656 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -80.6 -49.46 11.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.655 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.519 ' HG3' ' HB3' ' A' ' 13' ' ' PRO . 98.8 mm-40 -66.48 -22.78 66.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.653 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 1.037 HD11 ' O ' ' A' ' 15' ' ' SER . 27.4 mt -82.06 -54.92 8.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.564 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 88.9 mtp -53.6 -36.22 61.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.542 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 23.0 mmtp -67.6 -46.02 73.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.529 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 52.3 m -72.51 -7.65 51.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.506 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -79.8 -53.82 4.14 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.904 -0.879 . . . . 0.0 110.904 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.498 ' O ' ' CG ' ' A' ' 28' ' ' GLN . . . -78.38 -9.36 59.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.793 0.33 . . . . 0.0 110.477 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.551 ' O ' ' C ' ' A' ' 26' ' ' LEU . 34.7 tp -86.59 -81.04 0.23 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.521 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.551 ' C ' ' O ' ' A' ' 25' ' ' LEU . 45.0 tp -26.73 -65.83 0.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.513 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.519 ' O ' HG12 ' A' ' 31' ' ' ILE . 51.5 mt -51.1 -58.07 7.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.53 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.498 ' CG ' ' O ' ' A' ' 24' ' ' ALA . 40.2 mt-30 -47.36 -17.96 0.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.537 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.542 ' O ' ' N ' ' A' ' 31' ' ' ILE . . . -88.68 -72.76 1.28 Allowed Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 38.8 t80 -42.27 -18.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.812 0.339 . . . . 0.0 110.576 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.542 ' N ' ' O ' ' A' ' 29' ' ' GLY . 30.3 mm -77.13 -69.21 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.582 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.592 ' HG2' ' O ' ' A' ' 32' ' ' GLN . 50.2 tt0 -78.83 30.07 0.2 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.59 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.45 ' H ' ' C ' ' A' ' 31' ' ' ILE . 49.9 t0 -113.1 -50.75 2.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.574 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 15.4 ptm180 -91.6 -27.12 18.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.553 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -98.53 -14.38 20.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.595 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -81.72 178.19 53.78 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 38.3 ptt180 -144.95 -179.02 6.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.81 0.338 . . . . 0.0 110.583 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 4.8 tpp -75.04 122.23 23.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.58 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 98.74 -36.45 4.01 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 67.99 -58.88 0.38 Allowed Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 56.9 83.13 0.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.801 0.334 . . . . 0.0 110.669 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.562 ' N ' ' HD3' ' A' ' 43' ' ' PRO . . . 59.72 53.97 4.18 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.607 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.562 ' HD3' ' N ' ' A' ' 42' ' ' ALA . 51.8 Cg_exo -49.72 159.72 1.42 Allowed 'Trans proline' 0 C--N 1.306 -1.708 0 C-N-CA 122.77 2.313 . . . . 0.0 112.091 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 51.5 mp0 -94.19 -9.13 37.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.506 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.474 ' CD2' ' O ' ' A' ' 28' ' ' GLN . 23.3 tp -105.36 67.71 0.78 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.518 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.805 ' O ' ' CB ' ' A' ' 47' ' ' LEU . . . -77.08 138.23 39.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.535 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.805 ' CB ' ' O ' ' A' ' 46' ' ' ALA . 64.9 tp 136.62 -54.5 0.01 OUTLIER 'General case' 0 CA--C 1.587 2.401 1 CA-C-O 106.478 -6.487 . . . . 0.0 101.611 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.462 ' OD2' HD21 ' A' ' 45' ' ' LEU . 0.3 OUTLIER -41.25 88.37 0.04 OUTLIER Pre-proline 0 C--N 1.259 -3.333 1 O-C-N 131.408 5.442 . . . . 0.0 110.575 -168.733 . . . . . . . . 4 4 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 1.086 ' CD ' ' HD3' ' A' ' 49' ' ' PRO . 50.2 Cg_exo -48.61 147.51 9.42 Favored 'Trans proline' 0 C--N 1.305 -1.713 0 C-N-CA 122.788 2.325 . . . . 0.0 112.166 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.807 ' HB ' ' HD2' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -36.84 176.33 0.0 OUTLIER Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.525 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.807 ' HD2' ' HB ' ' A' ' 50' ' ' VAL . 50.0 Cg_endo -72.7 121.06 7.07 Favored 'Trans proline' 0 C--N 1.304 -1.769 0 C-N-CA 122.828 2.352 . . . . 0.0 112.142 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.474 ' O ' ' O ' ' A' ' 53' ' ' ASP . 51.5 tp60 -147.66 142.3 26.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.59 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.474 ' O ' ' O ' ' A' ' 52' ' ' GLN . 54.1 t0 58.05 127.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.568 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -88.54 -1.68 58.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.61 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 12.0 t -59.15 -39.37 82.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.539 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 10.5 m -82.04 -33.61 29.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.563 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -50.31 -54.74 19.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.661 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -59.83 -48.11 83.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.536 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.65 -26.2 67.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.536 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.5 t -71.54 -35.23 70.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.544 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -64.01 -31.71 73.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.551 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 94.4 m -64.23 -37.8 88.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.605 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 10.8 mp -75.36 -24.67 57.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.53 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -84.29 -36.72 22.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.557 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.435 ' O ' ' OE2' ' A' ' 69' ' ' GLU . 99.6 mtt180 -68.46 -44.47 74.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.575 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 19.4 tt -76.48 -35.02 25.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.574 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.425 ' O ' ' CB ' ' A' ' 71' ' ' ASP . . . -61.04 -45.38 96.7 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.437 ' OD1' ' O ' ' A' ' 68' ' ' ASP . 68.5 t0 -62.75 -34.37 77.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.852 0.358 . . . . 0.0 110.569 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.547 ' OE1' ' N ' ' A' ' 69' ' ' GLU . 0.3 OUTLIER -79.55 -58.49 3.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.609 179.949 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 2.1 mt -55.22 -43.07 74.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.538 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.425 ' CB ' ' O ' ' A' ' 67' ' ' GLY . 51.4 t0 -65.01 -8.76 17.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.623 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.6 t -96.4 7.08 47.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.61 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -92.99 111.55 23.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.531 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 77.8 mtm -68.41 -11.12 59.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.56 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 -80.43 -67.36 0.78 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.552 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 52.5 tp -59.66 -40.42 87.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.618 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.676 HE22 ' NZ ' ' A' ' 119' ' ' LYS . 67.6 tp60 -61.72 -37.95 86.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.536 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 77.8 ttt180 -68.49 -44.96 73.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.552 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 66.0 mtp -54.51 -43.83 72.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.629 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.515 ' O ' HG12 ' A' ' 83' ' ' VAL . 87.9 mt -62.47 -23.64 32.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.59 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -85.98 -18.78 31.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.595 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -86.43 -15.34 40.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.57 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.613 ' O ' ' CG1' ' A' ' 83' ' ' VAL . 8.2 p -89.47 82.61 2.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.585 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.429 ' O ' ' O ' ' A' ' 83' ' ' VAL . 55.3 p-10 -40.3 162.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.567 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 64.3 p -119.61 119.42 33.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.616 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 -148.4 -0.18 0.57 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.489 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.414 ' O ' HG11 ' A' ' 91' ' ' VAL . 44.0 t -176.04 88.7 0.28 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.504 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.487 ' O ' ' CB ' ' A' ' 92' ' ' PHE . 37.4 Cg_endo -69.37 -14.56 37.54 Favored 'Trans proline' 0 C--N 1.306 -1.692 0 C-N-CA 122.829 2.352 . . . . 0.0 112.068 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 34.2 ptt-85 -86.42 -35.06 19.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.55 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -78.92 -57.9 3.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.528 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.483 ' CG1' ' N ' ' A' ' 92' ' ' PHE . 10.3 p -56.71 -51.63 64.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.532 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.487 ' CB ' ' O ' ' A' ' 88' ' ' PRO . 71.8 t80 -46.02 -52.12 12.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.473 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 91.3 t80 -68.29 -29.95 68.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.432 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 15.3 tpp180 -71.98 -57.18 4.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.495 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.442 ' CG2' ' N ' ' A' ' 96' ' ' ALA . 28.1 m -60.16 -47.8 90.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.45 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.442 ' N ' ' CG2' ' A' ' 95' ' ' VAL . . . -55.34 -27.71 48.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.469 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -81.71 -38.86 25.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.522 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.407 ' O ' ' C ' ' A' ' 99' ' ' MET . 99.4 m-20 -63.25 -38.58 91.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.612 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' MET . . . . . 0.506 ' HB2' HH21 ' A' ' 109' ' ' ARG . 64.8 mtt -38.44 -68.72 0.15 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.559 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.6 ' CD2' ' O ' ' A' ' 100' ' ' PHE . 17.2 p90 -111.39 57.42 0.63 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.544 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.2 t -74.59 -26.84 60.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.579 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . 0.531 ' O ' ' C ' ' A' ' 103' ' ' GLY . 55.6 p-10 -155.64 -18.29 0.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.542 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.531 ' C ' ' O ' ' A' ' 102' ' ' ASP . . . -26.45 -80.61 0.01 OUTLIER Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.916 -0.873 . . . . 0.0 110.916 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . 0.606 ' O ' ' CG ' ' A' ' 105' ' ' PHE . 8.3 m-20 174.47 34.35 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.764 0.316 . . . . 0.0 110.587 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.606 ' CG ' ' O ' ' A' ' 104' ' ' ASN . 29.5 p90 42.58 29.12 0.14 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.597 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.549 ' CG ' ' H ' ' A' ' 107' ' ' TRP . 28.5 p30 -52.1 -110.54 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.499 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' TRP . . . . . 0.549 ' H ' ' CG ' ' A' ' 106' ' ' ASN . 6.5 t90 174.66 -26.13 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.587 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . 0.438 ' O ' HG13 ' A' ' 111' ' ' VAL . . . -50.12 -42.12 39.59 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.934 -0.867 . . . . 0.0 110.934 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . 0.506 HH21 ' HB2' ' A' ' 99' ' ' MET . 0.0 OUTLIER -48.14 -26.1 1.74 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.775 0.322 . . . . 0.0 110.522 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.473 HG23 ' NE1' ' A' ' 107' ' ' TRP . 36.2 t -52.52 -57.86 3.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.582 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.553 ' CG1' ' N ' ' A' ' 112' ' ' ALA . 4.7 p -45.35 -46.71 3.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.503 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.553 ' N ' ' CG1' ' A' ' 111' ' ' VAL . . . -58.08 -35.25 71.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.471 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.1 tt -56.73 -46.83 81.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.581 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.412 ' CZ ' ' CG1' ' A' ' 110' ' ' VAL . 10.8 m-85 -57.12 -44.09 82.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.607 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 93.1 t80 -67.98 -43.71 78.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.564 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 92.2 t80 -58.94 -42.01 88.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.536 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -70.74 -32.72 69.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.581 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 4.7 t -48.42 -44.53 35.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.625 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.822 ' O ' ' CB ' ' A' ' 123' ' ' LYS . 58.2 mmtt -59.6 -43.67 93.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.569 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 52.9 mt -67.94 -31.63 71.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.526 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.411 ' O ' ' CD1' ' A' ' 133' ' ' ILE . 60.9 t -76.92 -53.49 14.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.554 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 70.9 mt -72.91 -40.95 65.06 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.552 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.822 ' CB ' ' O ' ' A' ' 119' ' ' LYS . 88.7 tttt -58.03 -41.23 82.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.526 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.529 ' O ' ' OG1' ' A' ' 127' ' ' THR . . . -75.55 -22.18 57.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.578 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 50.5 tp -62.82 -32.29 73.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.629 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . 0.51 ' SG ' ' O ' ' A' ' 123' ' ' LYS . 16.8 p -82.97 -36.0 25.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.582 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' THR . . . . . 0.761 ' O ' ' HB2' ' A' ' 128' ' ' LYS . 35.4 p -53.3 -19.12 2.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.557 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.761 ' HB2' ' O ' ' A' ' 127' ' ' THR . 62.1 mttm 87.84 44.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.487 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . 0.492 ' CG2' ' OG1' ' A' ' 127' ' ' THR . 0.4 OUTLIER -147.73 89.92 5.26 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.609 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -71.58 -14.95 30.67 Favored 'Trans proline' 0 C--N 1.304 -1.775 0 C-N-CA 122.82 2.347 . . . . 0.0 112.067 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -64.6 -39.97 94.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.499 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 2.3 tp -62.24 -32.62 73.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.53 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . 0.427 HD13 HG21 ' A' ' 133' ' ' ILE . 21.8 mm -58.72 -49.39 82.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.523 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 43.2 ttm180 -69.47 -34.67 74.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.439 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 24.2 m -67.28 -31.67 72.14 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.558 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 46.3 mt -70.03 -58.72 4.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.495 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 6.1 mtp -46.57 -25.4 0.69 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.526 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -68.76 -40.44 85.23 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.835 -0.906 . . . . 0.0 110.835 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -66.36 -24.47 66.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.801 0.334 . . . . 0.0 110.568 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' THR . . . . . 0.503 ' OG1' ' N ' ' A' ' 141' ' ' LEU . 15.4 p -75.46 -65.96 0.83 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.535 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . 0.503 ' N ' ' OG1' ' A' ' 140' ' ' THR . 54.9 mt -51.71 -33.62 35.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.562 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -65.69 -51.08 62.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.6 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . 0.453 ' O ' ' HB2' ' A' ' 147' ' ' ARG . 5.9 t80 -66.81 -38.89 87.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.57 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.04 -35.48 71.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.557 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 57.7 ttp180 -83.05 -10.72 58.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.54 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -112.04 -4.5 14.46 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.533 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . 1.152 ' O ' ' N ' ' A' ' 149' ' ' LEU . 10.6 mtp180 -142.25 -110.93 0.13 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.533 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . 0.699 ' O ' ' N ' ' A' ' 152' ' ' ILE . 1.0 OUTLIER -15.42 -27.74 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.524 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . 1.152 ' N ' ' O ' ' A' ' 147' ' ' ARG . 56.2 tp -49.11 -56.28 9.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.565 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -63.97 -50.64 59.44 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 151' ' ' TRP . . . . . . . . . . . . . 30.6 m95 -66.16 -55.78 14.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.879 0.371 . . . . 0.0 110.689 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 152' ' ' ILE . . . . . 0.699 ' N ' ' O ' ' A' ' 148' ' ' LEU . 9.4 tt -51.34 -34.37 14.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.579 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . 0.478 ' NE2' ' CD1' ' A' ' 149' ' ' LEU . 52.4 mt-30 -67.44 -31.29 71.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.619 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -88.96 -4.59 58.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.623 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -97.5 0.74 48.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.541 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 83.72 24.59 49.25 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 89.85 -160.31 28.61 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 158' ' ' TRP . . . . . 0.484 ' HE1' HG23 ' A' ' 19' ' ' ILE . 55.7 m95 -74.02 -5.56 42.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.761 0.315 . . . . 0.0 110.548 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -60.85 -42.52 97.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.554 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -54.35 -32.19 51.55 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.951 -0.859 . . . . 0.0 110.951 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 1.9 tt -62.98 -54.17 42.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.814 0.34 . . . . 0.0 110.496 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 55.2 tp -66.84 -31.24 71.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.539 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 5.1 t -66.6 -26.6 67.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.554 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 164' ' ' TYR . . . . . 0.421 ' C ' ' H ' ' A' ' 166' ' ' GLY . 93.1 t80 -76.17 -42.86 45.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.564 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -71.61 47.91 0.14 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.569 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 166' ' ' GLY . . . . . 0.421 ' H ' ' C ' ' A' ' 164' ' ' TYR . . . -130.8 38.94 1.86 Allowed Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 167' ' ' THR . . . . . 1.091 ' OG1' ' HD2' ' A' ' 168' ' ' PRO . 0.6 OUTLIER -108.5 -179.0 0.62 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 120.913 0.387 . . . . 0.0 110.544 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 168' ' ' PRO . . . . . 1.091 ' HD2' ' OG1' ' A' ' 167' ' ' THR . 56.3 Cg_endo -74.61 -146.75 0.03 OUTLIER 'Trans proline' 0 C--N 1.305 -1.761 0 C-N-CA 122.86 2.374 . . . . 0.0 112.136 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 169' ' ' THR . . . . . 0.599 ' C ' ' O ' ' A' ' 168' ' ' PRO . 9.4 p -21.6 100.41 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.627 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 170' ' ' TRP . . . . . 0.62 ' O ' HG23 ' A' ' 173' ' ' VAL . 28.0 p90 -64.43 -18.59 64.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.534 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 171' ' ' GLN . . . . . 0.481 ' NE2' ' OG1' ' A' ' 172' ' ' THR . 5.1 pp0? -47.29 -13.96 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.557 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 172' ' ' THR . . . . . 0.504 ' H ' ' C ' ' A' ' 170' ' ' TRP . 5.2 m -87.13 -29.47 21.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.52 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 173' ' ' VAL . . . . . 0.62 HG23 ' O ' ' A' ' 170' ' ' TRP . 2.1 m -72.09 -45.64 62.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.504 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 174' ' ' THR . . . . . 0.562 ' N ' ' CG2' ' A' ' 173' ' ' VAL . 25.2 m -64.56 -24.95 67.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.521 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 175' ' ' ILE . . . . . 0.438 HG23 ' O ' ' A' ' 172' ' ' THR . 1.8 tt -85.76 -7.53 10.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.57 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 176' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -94.56 -60.13 1.78 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.567 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 3.2 m -62.1 -16.72 16.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.573 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 178' ' ' ALA . . . . . 0.621 ' O ' ' OG1' ' A' ' 182' ' ' THR . . . -95.48 -45.98 6.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.527 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -62.29 -26.2 67.56 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 180' ' ' VAL . . . . . 0.519 ' CG1' ' N ' ' A' ' 181' ' ' LEU . 13.6 p -86.13 -51.8 12.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.885 0.374 . . . . 0.0 110.591 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . 0.519 ' N ' ' CG1' ' A' ' 180' ' ' VAL . 38.6 tp -69.32 -47.93 63.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.545 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 182' ' ' THR . . . . . 0.621 ' OG1' ' O ' ' A' ' 178' ' ' ALA . 27.7 m -50.55 -51.35 48.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.514 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -47.43 -45.69 25.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.533 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 184' ' ' SER . . . . . . . . . . . . . 28.7 t -54.47 -37.83 65.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.603 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 65.8 mt -77.62 -21.78 51.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.524 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 21.5 m -73.28 -44.77 58.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.597 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 187' ' ' ILE . . . . . 0.507 ' O ' ' C ' ' A' ' 188' ' ' TRP . 12.7 tt -73.78 -51.56 24.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.573 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 188' ' ' TRP . . . . . 0.507 ' C ' ' O ' ' A' ' 187' ' ' ILE . 0.1 OUTLIER -30.82 -56.89 0.22 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.575 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 8.0 mmtt -175.74 128.26 0.24 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.542 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 190' ' ' LYS . . . . . . . . . . . . . 14.4 ptmt -109.87 89.58 3.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.611 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 191' ' ' MET . . . . . . . . . . . . . 84.4 mtp -128.67 136.51 50.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.614 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.775 0 CA-C-O 118.044 -1.42 . . . . 0.0 110.895 -179.975 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 130' ' ' CYS . . . . . . . . . . . . . 5.8 t . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 131' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -70.51 -49.53 47.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.568 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -52.61 105.7 0.13 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.58 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 37.8 tp -173.53 -79.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.522 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 134' ' ' LYS . . . . . . . . . . . . . 20.9 pttp -78.66 138.92 38.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.543 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 135' ' ' LYS . . . . . . . . . . . . . 61.7 pttt -92.23 -8.1 46.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.545 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 136' ' ' ALA . . . . . . . . . . . . . . . -61.83 92.15 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.577 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 69.4 mt -127.6 -144.37 0.29 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.525 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 138' ' ' ARG . . . . . 0.402 ' O ' ' HB2' ' B' ' 142' ' ' PHE . 89.0 mtm180 -61.69 -39.33 91.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.487 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 139' ' ' ARG . . . . . . . . . . . . . 17.3 tpt180 -56.01 -46.62 78.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.474 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 140' ' ' HIS . . . . . 0.762 ' O ' ' N ' ' B' ' 143' ' ' LEU . 20.7 m80 -78.13 -67.53 0.72 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.557 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 141' ' ' ARG . . . . . 0.505 ' C ' ' O ' ' B' ' 140' ' ' HIS . 83.0 mtp180 -31.32 -31.52 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.47 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 142' ' ' PHE . . . . . 0.643 ' N ' ' O ' ' B' ' 140' ' ' HIS . 21.8 m-85 -93.65 -29.78 15.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.447 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 143' ' ' LEU . . . . . 0.762 ' N ' ' O ' ' B' ' 140' ' ' HIS . 42.6 tp -58.95 -32.26 69.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.523 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 144' ' ' TRP . . . . . 0.448 ' O ' ' C ' ' B' ' 145' ' ' GLN . 9.8 m95 -88.53 -54.21 4.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.524 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 145' ' ' GLN . . . . . 0.448 ' C ' ' O ' ' B' ' 144' ' ' TRP . 48.2 tt0 -35.48 -69.15 0.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.509 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 146' ' ' ARG . . . . . . . . . . . . . 9.5 tpt180 -76.81 81.87 3.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.506 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 147' ' ' ARG . . . . . . . . . . . . . 60.8 ttp180 -145.53 143.36 29.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.608 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 148' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -54.09 92.41 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.505 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 67.3 ttt180 -58.0 -44.74 87.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.583 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 150' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.438 0 CA-C-O 118.023 -0.989 . . . . 0.0 110.586 -179.975 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 ptt? . . . . . 0 N--CA 1.491 1.617 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.994 ' O ' ' N ' ' A' ' 4' ' ' SER . 28.1 p-10 -105.17 -27.2 11.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.489 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.694 ' O ' ' OG ' ' A' ' 4' ' ' SER . . . 44.6 -18.37 0.0 OUTLIER Glycine 0 CA--C 1.525 0.696 0 N-CA-C 111.1 -0.8 . . . . 0.0 111.1 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.994 ' N ' ' O ' ' A' ' 2' ' ' ASP . 40.3 m 175.61 -26.47 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.772 0.32 . . . . 0.0 110.686 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 113.19 128.3 4.84 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 1.038 ' O ' ' HB3' ' A' ' 7' ' ' GLN . 5.1 tp10 -94.92 100.99 12.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.814 0.34 . . . . 0.0 110.595 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 1.038 ' HB3' ' O ' ' A' ' 6' ' ' GLU . 2.4 tp-100 101.71 65.02 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.438 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.935 ' O ' ' O ' ' A' ' 9' ' ' ARG . 51.2 Cg_exo -49.02 160.88 0.61 Allowed 'Trans proline' 0 C--N 1.304 -1.772 0 C-N-CA 122.823 2.348 . . . . 0.0 112.077 -179.809 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.935 ' O ' ' O ' ' A' ' 8' ' ' PRO . 28.1 mtp180 -18.98 157.19 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.543 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.473 ' O ' ' C ' ' A' ' 11' ' ' GLY . . . 153.52 12.5 0.07 OUTLIER Glycine 0 CA--C 1.525 0.699 0 N-CA-C 111.091 -0.803 . . . . 0.0 111.091 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.473 ' C ' ' O ' ' A' ' 10' ' ' GLY . . . -32.19 145.95 0.01 OUTLIER Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.606 ' N ' ' HD3' ' A' ' 13' ' ' PRO . . . 59.63 47.33 91.43 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.848 -0.901 . . . . 0.0 110.848 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 1.07 ' O ' ' N ' ' A' ' 15' ' ' SER . 66.3 Cg_exo -45.11 -65.43 0.19 Allowed 'Trans proline' 0 C--N 1.305 -1.719 0 C-N-CA 122.899 2.399 . . . . 0.0 112.053 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.613 ' C ' ' O ' ' A' ' 13' ' ' PRO . 76.6 p -19.6 63.09 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.615 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 1.07 ' N ' ' O ' ' A' ' 13' ' ' PRO . 22.5 p -50.16 88.03 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.424 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.511 ' N ' ' O ' ' A' ' 14' ' ' THR . 62.5 m -94.5 -15.72 23.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.724 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -91.67 -51.74 5.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.565 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -55.62 -32.97 63.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.772 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 1.058 HD11 ' O ' ' A' ' 15' ' ' SER . 65.5 mt -75.11 -51.45 21.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.742 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 13.0 ttt -56.94 -36.09 69.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.809 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -68.05 -44.12 77.12 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.71 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 41.3 p -72.59 -13.67 61.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.662 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -74.51 -54.29 6.15 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.415 ' O ' ' HB2' ' A' ' 28' ' ' GLN . . . -77.45 -10.32 59.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.853 0.359 . . . . 0.0 110.646 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.53 ' O ' ' C ' ' A' ' 26' ' ' LEU . 33.6 tp -86.53 -78.43 0.29 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.608 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.53 ' C ' ' O ' ' A' ' 25' ' ' LEU . 56.4 tp -29.14 -64.55 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.614 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.432 ' O ' HG12 ' A' ' 31' ' ' ILE . 60.0 tp -52.46 -56.32 15.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.546 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.563 ' OE1' HD12 ' A' ' 47' ' ' LEU . 51.5 tt0 -48.77 -17.97 0.23 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.598 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.528 ' O ' ' N ' ' A' ' 31' ' ' ILE . . . -88.76 -72.13 1.27 Allowed Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -42.53 -18.98 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.837 0.351 . . . . 0.0 110.56 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.528 ' N ' ' O ' ' A' ' 29' ' ' GLY . 4.0 mm -77.01 -68.84 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.593 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 31.3 tt0 -79.16 29.78 0.22 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.604 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.448 ' H ' ' C ' ' A' ' 31' ' ' ILE . 68.3 t0 -112.76 -51.03 2.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.503 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 -91.24 -26.96 18.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.532 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -98.64 -13.24 20.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.576 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -92.04 20.6 41.89 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.474 ' O ' ' O ' ' A' ' 38' ' ' MET . 88.9 mtm180 -65.41 163.87 14.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.727 0.298 . . . . 0.0 110.586 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.474 ' O ' ' O ' ' A' ' 37' ' ' ARG . 93.3 mmm 54.35 161.74 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.572 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -58.68 140.33 47.53 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -161.44 90.86 0.11 Allowed Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 78.7 tt0 -66.47 154.34 40.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.758 0.314 . . . . 0.0 110.571 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 53.18 75.96 0.58 Allowed Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.558 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -74.51 139.29 25.48 Favored 'Trans proline' 0 C--N 1.305 -1.751 0 C-N-CA 122.827 2.352 . . . . 0.0 112.17 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -72.83 -19.07 61.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.534 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.497 ' CD2' ' O ' ' A' ' 45' ' ' LEU . 3.1 tt -92.34 73.01 5.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.538 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.402 ' O ' ' HG ' ' A' ' 47' ' ' LEU . . . -90.31 131.6 36.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.566 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.563 HD12 ' OE1' ' A' ' 28' ' ' GLN . 0.9 OUTLIER -170.66 -77.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.584 179.909 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.929 ' H ' ' HD3' ' A' ' 49' ' ' PRO . 0.6 OUTLIER 179.44 52.56 0.05 OUTLIER Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.615 179.957 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.929 ' HD3' ' H ' ' A' ' 48' ' ' ASP . 31.3 Cg_exo -54.91 -174.77 0.03 OUTLIER 'Trans proline' 0 C--N 1.306 -1.7 0 C-N-CA 122.792 2.328 . . . . 0.0 112.113 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.57 ' N ' ' HD3' ' A' ' 51' ' ' PRO . 25.1 t 63.27 53.8 1.73 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.601 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.57 ' HD3' ' N ' ' A' ' 50' ' ' VAL . 51.6 Cg_exo -49.9 159.87 1.49 Allowed 'Trans proline' 0 C--N 1.305 -1.762 0 C-N-CA 122.759 2.306 . . . . 0.0 112.015 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 76.0 mm-40 -100.33 -35.13 9.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.503 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.423 ' OD1' ' N ' ' A' ' 53' ' ' ASP . 29.5 p-10 -84.09 137.91 33.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.628 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -84.19 -1.44 55.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.58 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 58.5 m -61.22 -39.83 91.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.558 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.39 -33.78 28.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.608 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 31.7 ttpt -50.0 -54.74 18.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.6 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 30.2 ttpt -59.92 -47.94 83.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.583 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.83 -26.12 67.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.551 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.8 t -71.51 -35.27 70.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.569 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -64.08 -31.53 72.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.55 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 92.1 m -64.45 -37.74 88.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.519 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.438 ' CD1' ' N ' ' A' ' 63' ' ' LEU . 9.0 mp -75.41 -24.6 57.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.591 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.426 ' CB ' ' HZ1' ' A' ' 64' ' ' LYS . 8.0 ttpm? -84.26 -36.64 22.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.58 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.438 ' O ' ' OE2' ' A' ' 69' ' ' GLU . 95.0 mtt180 -68.61 -44.44 74.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.535 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 20.6 tt -76.44 -35.11 25.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.547 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.425 ' O ' ' CB ' ' A' ' 71' ' ' ASP . . . -60.95 -45.45 96.56 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.425 ' OD1' ' O ' ' A' ' 68' ' ' ASP . 68.3 t0 -62.7 -34.29 76.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.753 0.311 . . . . 0.0 110.599 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.541 ' OE1' ' N ' ' A' ' 69' ' ' GLU . 0.3 OUTLIER -79.71 -58.36 3.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.578 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.26 -43.02 74.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.547 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.432 ' OD1' ' O ' ' A' ' 71' ' ' ASP . 53.2 t0 -65.13 -8.69 17.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.553 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.5 t -96.37 7.0 47.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.592 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -92.96 111.43 23.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.608 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 89.5 mtp -68.23 -11.18 58.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.528 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -80.51 -67.23 0.79 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.513 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 7.7 tp -59.93 -40.12 87.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.574 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 10.7 tm0? -61.91 -37.9 86.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.571 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 75.5 ttt180 -68.49 -44.93 73.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.536 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 73.9 mtp -54.54 -43.87 72.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.577 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.511 ' O ' HG12 ' A' ' 83' ' ' VAL . 85.5 mt -62.46 -23.53 32.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.6 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -86.27 -18.6 31.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.555 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -86.69 -14.88 41.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.544 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.609 ' O ' ' CG1' ' A' ' 83' ' ' VAL . 8.1 p -89.96 82.06 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.551 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.444 ' O ' ' O ' ' A' ' 83' ' ' VAL . 43.6 p30 -39.9 162.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.557 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 97.8 m -119.49 119.07 32.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.656 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -147.6 -0.28 0.65 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.475 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.434 ' O ' HG11 ' A' ' 91' ' ' VAL . 47.4 t -176.12 90.47 0.27 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.491 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.477 ' O ' ' CB ' ' A' ' 92' ' ' PHE . 42.8 Cg_endo -71.03 -13.98 31.81 Favored 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 122.847 2.365 . . . . 0.0 112.127 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 16.1 ptt-85 -87.82 -32.32 19.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.546 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -81.5 -56.55 3.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.504 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.463 ' CG1' ' N ' ' A' ' 92' ' ' PHE . 9.3 p -58.54 -50.43 78.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.529 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.477 ' CB ' ' O ' ' A' ' 88' ' ' PRO . 85.8 t80 -46.97 -51.28 17.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.478 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -68.62 -30.2 68.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.51 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 15.5 tpp180 -71.87 -57.65 4.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.555 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.441 ' CG2' ' N ' ' A' ' 96' ' ' ALA . 28.3 m -59.56 -47.84 89.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.528 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.441 ' N ' ' CG2' ' A' ' 95' ' ' VAL . . . -55.45 -27.69 49.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.462 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -81.76 -38.89 24.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.508 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.407 ' O ' ' C ' ' A' ' 99' ' ' MET . 99.8 m-20 -63.3 -38.56 91.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.578 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' MET . . . . . 0.407 ' C ' ' O ' ' A' ' 98' ' ' ASP . 63.8 mtt -38.43 -68.78 0.14 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.546 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.608 ' CD2' ' O ' ' A' ' 100' ' ' PHE . 16.3 p90 -111.38 57.46 0.63 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.57 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.2 t -74.59 -26.82 60.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.607 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . 0.532 ' O ' ' C ' ' A' ' 103' ' ' GLY . 55.6 p-10 -155.65 -18.18 0.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.539 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.532 ' C ' ' O ' ' A' ' 102' ' ' ASP . . . -26.45 -80.61 0.01 OUTLIER Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . 0.606 ' O ' ' CG ' ' A' ' 105' ' ' PHE . 25.9 t-20 174.44 34.49 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.782 0.325 . . . . 0.0 110.612 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.606 ' CG ' ' O ' ' A' ' 104' ' ' ASN . 31.2 p90 42.58 29.01 0.14 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.555 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.545 ' CG ' ' H ' ' A' ' 107' ' ' TRP . 29.0 p30 -52.14 -110.5 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.618 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' TRP . . . . . 0.545 ' H ' ' CG ' ' A' ' 106' ' ' ASN . 6.7 t90 174.71 -26.21 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.608 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . 0.446 ' O ' HG13 ' A' ' 111' ' ' VAL . . . -49.98 -42.13 38.34 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.959 -0.857 . . . . 0.0 110.959 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 5.7 ppt_? -48.13 -26.15 1.76 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.787 0.327 . . . . 0.0 110.616 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.476 HG23 ' NE1' ' A' ' 107' ' ' TRP . 33.1 t -52.44 -57.98 3.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.491 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.552 ' CG1' ' N ' ' A' ' 112' ' ' ALA . 4.9 p -45.32 -46.66 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.444 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.552 ' N ' ' CG1' ' A' ' 111' ' ' VAL . . . -58.06 -35.36 71.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.506 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 1.8 tt -56.59 -46.9 80.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.63 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.451 ' CZ ' ' CG1' ' A' ' 110' ' ' VAL . 9.8 m-85 -56.98 -44.23 82.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.523 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 92.6 t80 -67.86 -43.82 78.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.591 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 93.2 t80 -58.96 -41.9 88.58 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.514 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -70.78 -32.72 69.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.544 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 4.9 t -48.44 -44.68 35.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.565 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.82 ' O ' ' CB ' ' A' ' 123' ' ' LYS . 55.0 mmtt -59.36 -43.61 92.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.659 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 53.1 mt -68.13 -31.5 71.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.605 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.514 ' O ' ' CD1' ' A' ' 133' ' ' ILE . 75.5 t -76.97 -53.28 15.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.542 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 68.6 mt -73.18 -40.57 64.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.564 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.82 ' CB ' ' O ' ' A' ' 119' ' ' LYS . 88.7 tttt -58.41 -40.91 83.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.53 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.523 ' O ' ' OG1' ' A' ' 127' ' ' THR . . . -76.09 -21.26 56.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.562 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 6.9 tp -63.62 -31.26 72.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.607 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . 0.455 ' SG ' ' N ' ' A' ' 127' ' ' THR . 13.8 p -84.84 -34.54 22.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.601 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' THR . . . . . 0.796 ' O ' ' HB2' ' A' ' 128' ' ' LYS . 26.3 p -53.96 -18.32 3.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.565 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.796 ' HB2' ' O ' ' A' ' 127' ' ' THR . 26.9 mmtp 88.07 42.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.573 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . 0.454 ' CG2' ' OG1' ' A' ' 127' ' ' THR . 1.7 m -146.96 92.99 4.85 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.626 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -74.91 -13.33 21.66 Favored 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 122.845 2.364 . . . . 0.0 112.074 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . 0.526 ' O ' HG21 ' A' ' 135' ' ' THR . 78.8 tt0 -66.22 -38.83 88.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.564 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.512 ' HA ' ' OG1' ' A' ' 135' ' ' THR . 2.4 tp -63.06 -31.87 73.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.529 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . 0.514 ' CD1' ' O ' ' A' ' 121' ' ' VAL . 8.0 mm -59.28 -49.09 84.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.482 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 88.7 mtm180 -69.55 -34.66 74.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.485 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' THR . . . . . 0.526 HG21 ' O ' ' A' ' 131' ' ' GLU . 61.7 p -67.31 -32.04 72.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.486 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 47.2 mt -69.72 -58.6 5.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.561 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' MET . . . . . 0.423 ' O ' ' OG1' ' A' ' 140' ' ' THR . 55.2 mtt -46.71 -25.44 0.73 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.442 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -68.71 -40.58 85.4 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' TRP . . . . . 0.566 ' CD1' ' N ' ' A' ' 139' ' ' TRP . 7.5 m0 -66.23 -24.44 66.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.778 0.323 . . . . 0.0 110.554 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' THR . . . . . 0.475 ' OG1' ' N ' ' A' ' 141' ' ' LEU . 21.1 p -75.58 -65.89 0.84 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.535 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . 0.475 ' N ' ' OG1' ' A' ' 140' ' ' THR . 52.8 mt -51.86 -33.44 36.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.578 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -65.83 -51.05 62.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.533 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . 0.463 ' O ' ' HB2' ' A' ' 147' ' ' ARG . 6.4 t80 -66.83 -38.83 87.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.565 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 2.0 tp -71.15 -35.55 71.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.476 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 57.9 ttp180 -83.01 -10.62 58.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.574 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -112.04 -4.62 14.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.582 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . 1.152 ' O ' ' N ' ' A' ' 149' ' ' LEU . 19.5 mtp180 -142.23 -110.88 0.13 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.546 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . 0.697 ' O ' ' N ' ' A' ' 152' ' ' ILE . 1.0 OUTLIER -15.29 -27.83 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.595 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . 1.152 ' N ' ' O ' ' A' ' 147' ' ' ARG . 59.3 tp -49.09 -56.31 9.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.54 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -63.87 -50.65 59.59 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 151' ' ' TRP . . . . . . . . . . . . . 99.4 m95 -66.26 -55.81 14.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.791 0.329 . . . . 0.0 110.541 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 152' ' ' ILE . . . . . 0.697 ' N ' ' O ' ' A' ' 148' ' ' LEU . 10.3 tt -51.31 -34.41 14.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.561 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . 0.417 ' NE2' ' CD1' ' A' ' 149' ' ' LEU . 50.9 mt-30 -67.41 -31.42 71.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.528 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -88.83 -4.62 58.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.639 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -97.49 0.89 48.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.54 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 83.6 24.76 49.16 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 89.7 -160.42 28.87 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.874 -0.891 . . . . 0.0 110.874 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 158' ' ' TRP . . . . . 0.43 ' HE1' HG23 ' A' ' 19' ' ' ILE . 37.7 m95 -73.86 -5.66 42.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.812 0.339 . . . . 0.0 110.57 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -60.83 -42.46 97.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.539 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -54.35 -32.37 51.76 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 2.0 tt -62.83 -54.15 43.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.708 0.29 . . . . 0.0 110.513 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 48.6 tp -66.85 -31.23 71.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.582 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 20.9 t -66.54 -26.83 67.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.554 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 164' ' ' TYR . . . . . 0.421 ' C ' ' H ' ' A' ' 166' ' ' GLY . 94.5 t80 -75.79 -42.97 48.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.567 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -71.82 47.88 0.15 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.537 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 166' ' ' GLY . . . . . 0.421 ' H ' ' C ' ' A' ' 164' ' ' TYR . . . -130.5 39.08 1.85 Allowed Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 167' ' ' THR . . . . . 1.195 ' OG1' ' HD2' ' A' ' 168' ' ' PRO . 0.6 OUTLIER -108.6 -176.45 0.4 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 120.978 0.418 . . . . 0.0 110.594 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 168' ' ' PRO . . . . . 1.195 ' HD2' ' OG1' ' A' ' 167' ' ' THR . 61.3 Cg_endo -77.67 -147.76 0.03 OUTLIER 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 122.896 2.398 . . . . 0.0 112.212 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 169' ' ' THR . . . . . 0.606 ' C ' ' O ' ' A' ' 168' ' ' PRO . 20.8 p -20.28 98.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.611 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 170' ' ' TRP . . . . . 0.613 ' O ' HG23 ' A' ' 173' ' ' VAL . 30.8 p90 -63.19 -18.48 63.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.58 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 171' ' ' GLN . . . . . 0.53 ' NE2' ' OG1' ' A' ' 172' ' ' THR . 5.5 pp0? -47.37 -13.83 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.556 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 172' ' ' THR . . . . . 0.53 ' OG1' ' NE2' ' A' ' 171' ' ' GLN . 5.5 m -87.34 -29.58 21.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.493 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 173' ' ' VAL . . . . . 0.613 HG23 ' O ' ' A' ' 170' ' ' TRP . 2.0 m -71.94 -45.68 63.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.604 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 174' ' ' THR . . . . . 0.566 ' N ' ' CG2' ' A' ' 173' ' ' VAL . 24.9 m -64.51 -25.04 67.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.526 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 175' ' ' ILE . . . . . 0.42 HG23 ' O ' ' A' ' 172' ' ' THR . 1.6 tt -85.68 -7.62 10.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.57 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 176' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -94.48 -60.17 1.78 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.617 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 3.0 m -62.02 -16.71 16.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.586 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 178' ' ' ALA . . . . . 0.63 ' O ' ' OG1' ' A' ' 182' ' ' THR . . . -95.51 -45.92 6.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.608 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -62.28 -26.18 67.52 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 180' ' ' VAL . . . . . 0.52 ' CG1' ' N ' ' A' ' 181' ' ' LEU . 13.7 p -86.26 -51.73 12.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.793 0.33 . . . . 0.0 110.553 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . 0.52 ' N ' ' CG1' ' A' ' 180' ' ' VAL . 41.3 tp -69.27 -48.01 62.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.553 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 182' ' ' THR . . . . . 0.63 ' OG1' ' O ' ' A' ' 178' ' ' ALA . 26.1 m -50.53 -51.26 49.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.597 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -47.47 -45.63 26.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.547 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 184' ' ' SER . . . . . . . . . . . . . 27.5 t -54.52 -37.77 65.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.616 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 61.6 mt -77.7 -21.68 51.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.569 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 21.0 m -73.27 -44.83 58.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.524 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 187' ' ' ILE . . . . . 0.505 ' O ' ' C ' ' A' ' 188' ' ' TRP . 12.5 tt -73.68 -51.59 24.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.614 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 188' ' ' TRP . . . . . 0.505 ' C ' ' O ' ' A' ' 187' ' ' ILE . 0.2 OUTLIER -30.75 -56.94 0.22 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.593 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 8.0 mmtt -175.75 128.29 0.24 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.581 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 190' ' ' LYS . . . . . . . . . . . . . 14.8 ptmt -109.91 89.53 3.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.564 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 191' ' ' MET . . . . . . . . . . . . . 83.7 mtp -128.62 136.57 50.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.609 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.711 0 CA-C-O 118.04 -1.422 . . . . 0.0 110.938 -179.934 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 130' ' ' CYS . . . . . . . . . . . . . 26.5 p . . . . . 0 N--CA 1.49 1.575 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 131' ' ' GLU . . . . . . . . . . . . . 66.9 mm-40 -64.6 -55.81 17.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.502 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -52.75 167.4 0.15 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.576 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 61.2 tp -57.39 -39.82 76.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.601 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 134' ' ' LYS . . . . . . . . . . . . . 50.3 tttm -177.22 -76.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.614 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 135' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -143.34 149.91 38.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.659 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 136' ' ' ALA . . . . . 0.464 ' HB3' HH21 ' B' ' 141' ' ' ARG . . . -144.82 135.12 24.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.414 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 137' ' ' LEU . . . . . 0.727 ' H ' ' NH2' ' B' ' 141' ' ' ARG . 7.0 mp -97.55 134.06 41.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.615 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 138' ' ' ARG . . . . . 0.509 ' O ' ' HB2' ' B' ' 142' ' ' PHE . 34.2 mmt180 -89.81 -9.98 47.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.472 179.732 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 139' ' ' ARG . . . . . . . . . . . . . 75.3 ttt180 -61.79 -44.7 96.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.515 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 140' ' ' HIS . . . . . 0.696 ' O ' ' N ' ' B' ' 143' ' ' LEU . 31.3 t-80 -79.64 -65.12 1.04 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.507 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 141' ' ' ARG . . . . . 0.727 ' NH2' ' H ' ' B' ' 137' ' ' LEU . 1.2 mpp_? -34.8 -31.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.384 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 142' ' ' PHE . . . . . 0.549 ' N ' ' O ' ' B' ' 140' ' ' HIS . 12.0 m-85 -92.96 -29.39 15.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.441 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 143' ' ' LEU . . . . . 0.696 ' N ' ' O ' ' B' ' 140' ' ' HIS . 33.3 tp -58.42 -34.55 70.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.649 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 144' ' ' TRP . . . . . 0.475 ' O ' ' C ' ' B' ' 145' ' ' GLN . 59.8 t-105 -85.48 -56.0 3.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.588 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 145' ' ' GLN . . . . . 0.475 ' C ' ' O ' ' B' ' 144' ' ' TRP . 5.1 tm0? -33.62 -71.54 0.06 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.636 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 146' ' ' ARG . . . . . . . . . . . . . 66.4 ttt180 -94.15 117.27 29.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.651 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 147' ' ' ARG . . . . . . . . . . . . . 43.6 ttm180 -154.97 108.82 2.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.576 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 148' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -72.35 -38.81 68.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.652 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 85.3 mtm-85 -109.75 119.03 38.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.661 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 150' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.476 0 CA-C-O 118.045 -0.978 . . . . 0.0 110.489 -179.939 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.419 ' H2 ' ' H ' ' A' ' 2' ' ' ASP . 10.6 ptt? . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.72 ' CG ' ' H ' ' A' ' 3' ' ' GLY . 20.1 p-10 -52.5 -66.75 0.33 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.537 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.72 ' H ' ' CG ' ' A' ' 2' ' ' ASP . . . 94.71 -49.42 2.04 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.5 m -165.0 -26.1 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.766 0.317 . . . . 0.0 110.607 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -170.15 -121.56 0.59 Allowed Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.82 ' O ' ' HB3' ' A' ' 7' ' ' GLN . 4.7 tp10 -136.73 118.11 14.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.814 0.34 . . . . 0.0 110.589 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.82 ' HB3' ' O ' ' A' ' 6' ' ' GLU . 6.7 tp-100 90.11 30.49 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.59 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 1.239 ' O ' ' O ' ' A' ' 9' ' ' ARG . 55.8 Cg_endo -73.38 66.13 4.49 Favored 'Trans proline' 0 C--N 1.306 -1.705 0 C-N-CA 122.799 2.333 . . . . 0.0 112.066 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 1.239 ' O ' ' O ' ' A' ' 8' ' ' PRO . 4.5 mtp180 4.84 152.24 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.788 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -105.94 91.49 0.74 Allowed Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.677 -0.969 . . . . 0.0 110.677 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -69.36 -16.55 71.49 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -122.57 148.91 16.96 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.671 ' O ' ' C ' ' A' ' 14' ' ' THR . 54.4 Cg_exo -46.85 -100.1 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.723 0 C-N-CA 122.743 2.295 . . . . 0.0 112.095 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.671 ' C ' ' O ' ' A' ' 13' ' ' PRO . 70.3 p 10.6 98.76 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.586 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 1.092 ' O ' HD11 ' A' ' 19' ' ' ILE . 2.9 p -142.58 -149.8 0.29 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.61 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.428 ' H ' ' HB2' ' A' ' 15' ' ' SER . 49.3 m -99.88 -13.25 19.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.597 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -84.83 -47.94 9.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.47 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.516 ' CD ' ' O ' ' A' ' 18' ' ' GLN . 20.5 tm0? -66.46 -23.1 66.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.582 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 1.092 HD11 ' O ' ' A' ' 15' ' ' SER . 93.8 mt -82.02 -55.26 8.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.51 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.42 ' SD ' ' C ' ' A' ' 20' ' ' MET . 10.2 tmm? -52.82 -37.15 59.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.527 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 29.0 ttmt -66.77 -47.06 73.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.453 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 92.8 m -71.35 -7.99 50.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.566 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -79.54 -54.23 4.06 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.44 -8.96 59.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.804 0.335 . . . . 0.0 110.522 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.548 ' O ' ' C ' ' A' ' 26' ' ' LEU . 23.0 mt -86.88 -80.49 0.24 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.613 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.548 ' C ' ' O ' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -27.07 -65.71 0.07 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.642 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.421 ' C ' ' N ' ' A' ' 29' ' ' GLY . 6.2 tp -51.23 -57.8 7.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.598 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.529 ' NE2' ' C ' ' A' ' 28' ' ' GLN . 0.0 OUTLIER -47.48 -18.0 0.11 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.539 -179.947 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.541 ' O ' ' N ' ' A' ' 31' ' ' ILE . . . -88.7 -72.65 1.28 Allowed Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 42.0 t80 -42.15 -18.91 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.839 0.352 . . . . 0.0 110.623 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.541 ' N ' ' O ' ' A' ' 29' ' ' GLY . 73.8 mt -76.96 -69.2 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.575 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -78.99 30.14 0.21 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.589 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.448 ' H ' ' C ' ' A' ' 31' ' ' ILE . 66.4 t0 -113.06 -50.78 2.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.589 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 15.2 ptm180 -91.57 -26.74 18.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.599 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -99.01 -13.63 19.81 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.596 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.506 ' O ' ' N ' ' A' ' 38' ' ' MET . . . -62.53 -120.31 0.01 OUTLIER Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.986 -0.845 . . . . 0.0 110.986 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 8.0 tpt180 62.95 -71.76 0.05 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.819 0.342 . . . . 0.0 110.601 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.506 ' N ' ' O ' ' A' ' 36' ' ' GLY . 2.8 ptp -61.66 -44.66 96.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.605 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -69.79 168.43 46.76 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.515 ' C ' ' HD3' ' A' ' 43' ' ' PRO . . . 157.69 -59.37 0.34 Allowed Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.909 -0.877 . . . . 0.0 110.909 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 54.8 mp0 -70.31 -39.36 74.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.806 0.336 . . . . 0.0 110.564 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.54 ' N ' ' HD3' ' A' ' 43' ' ' PRO . . . -143.05 54.8 3.46 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.631 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.54 ' HD3' ' N ' ' A' ' 42' ' ' ALA . 51.0 Cg_exo -49.12 155.0 3.14 Favored 'Trans proline' 0 C--N 1.305 -1.749 0 C-N-CA 122.835 2.356 . . . . 0.0 112.115 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 75.1 mt-10 -92.48 -11.86 33.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.565 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.402 HD13 ' O ' ' A' ' 45' ' ' LEU . 0.3 OUTLIER -98.85 63.54 1.39 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.592 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.423 ' O ' ' HB2' ' A' ' 47' ' ' LEU . . . -70.94 141.09 51.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.529 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.445 ' O ' ' CG ' ' A' ' 48' ' ' ASP . 56.2 tp 176.88 -83.91 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.544 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.485 ' HB3' ' HD2' ' A' ' 49' ' ' PRO . 43.9 m-20 -163.98 161.96 16.52 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.614 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.485 ' HD2' ' HB3' ' A' ' 48' ' ' ASP . 47.5 Cg_endo -72.44 -81.47 0.01 OUTLIER 'Trans proline' 0 C--N 1.304 -1.766 0 C-N-CA 122.83 2.353 . . . . 0.0 112.129 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.642 ' O ' HG13 ' A' ' 50' ' ' VAL . 13.0 p 177.03 74.33 0.1 OUTLIER Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.627 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_endo -72.86 -1.19 10.06 Favored 'Trans proline' 0 C--N 1.305 -1.757 0 C-N-CA 122.823 2.349 . . . . 0.0 112.022 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.809 ' O ' ' OD1' ' A' ' 53' ' ' ASP . 10.4 tt0 -76.36 -121.78 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.564 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.809 ' OD1' ' O ' ' A' ' 52' ' ' GLN . 87.8 m-20 -151.2 -161.6 1.37 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.591 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -80.18 -1.03 38.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.542 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 11.4 t -60.12 -39.84 87.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.592 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.491 ' CG2' ' OE1' ' A' ' 52' ' ' GLN . 6.8 p -81.97 -34.0 29.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.572 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 66.5 mmtt -50.17 -54.87 17.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.586 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -59.84 -47.77 84.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.629 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.8 mp -61.94 -26.28 68.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.491 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.4 t -71.37 -35.38 71.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.566 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -63.84 -31.72 73.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.545 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 95.3 m -64.35 -37.74 88.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.572 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 11.2 mp -75.3 -24.76 57.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.53 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 25.1 ttpp -84.22 -36.68 22.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.59 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -68.46 -44.5 74.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.529 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 18.4 tt -76.43 -35.13 26.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.555 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.425 ' O ' ' CB ' ' A' ' 71' ' ' ASP . . . -61.06 -45.42 96.62 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.421 ' OD1' ' O ' ' A' ' 68' ' ' ASP . 68.0 t0 -62.78 -34.21 76.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.748 0.309 . . . . 0.0 110.592 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 41.8 tp10 -79.71 -58.49 3.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.597 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 2.1 mt -55.09 -43.13 73.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.559 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.436 ' OD1' ' O ' ' A' ' 71' ' ' ASP . 55.4 t0 -65.05 -8.78 17.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.593 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.9 t -96.33 7.07 47.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.572 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -92.9 111.48 23.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.597 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 6.9 ptt? -68.35 -11.24 59.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.543 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -80.32 -67.32 0.78 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.6 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 51.5 tp -59.82 -40.24 87.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.545 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 3.4 tm0? -61.82 -37.94 86.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.511 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 77.3 ttt180 -68.53 -44.89 73.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.5 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 73.5 mtp -54.59 -43.84 72.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.566 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.514 ' O ' HG12 ' A' ' 83' ' ' VAL . 84.8 mt -62.44 -23.68 32.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.566 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -86.03 -18.71 31.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.577 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -86.55 -15.02 41.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.592 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.613 ' O ' ' CG1' ' A' ' 83' ' ' VAL . 8.0 p -89.86 82.55 2.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.603 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.41 ' O ' ' O ' ' A' ' 83' ' ' VAL . 54.8 p-10 -40.84 162.06 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.536 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 87.8 m -119.39 120.53 37.15 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.62 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 29.8 t0 -149.0 -0.49 0.51 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.495 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.423 ' O ' HG11 ' A' ' 91' ' ' VAL . 44.9 t -175.41 87.27 0.3 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.487 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.503 ' O ' ' CB ' ' A' ' 92' ' ' PHE . 34.8 Cg_endo -67.86 -15.8 44.59 Favored 'Trans proline' 0 C--N 1.304 -1.765 0 C-N-CA 122.765 2.31 . . . . 0.0 112.106 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 15.3 ptt-85 -85.84 -34.51 21.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.501 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -78.85 -57.74 3.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.595 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.476 ' CG1' ' N ' ' A' ' 92' ' ' PHE . 9.2 p -57.32 -51.51 68.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.551 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.503 ' CB ' ' O ' ' A' ' 88' ' ' PRO . 74.4 t80 -45.84 -52.4 11.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.494 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 91.3 t80 -67.92 -30.0 69.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.581 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 16.2 tpp180 -71.8 -57.43 4.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.545 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.445 ' CG2' ' N ' ' A' ' 96' ' ' ALA . 26.6 m -59.93 -47.81 90.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.572 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.445 ' N ' ' CG2' ' A' ' 95' ' ' VAL . . . -55.2 -27.77 48.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.531 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -81.71 -38.86 25.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.544 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.407 ' O ' ' C ' ' A' ' 99' ' ' MET . 99.6 m-20 -63.3 -38.67 92.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.495 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' MET . . . . . 0.407 ' C ' ' O ' ' A' ' 98' ' ' ASP . 65.1 mtt -38.39 -68.75 0.14 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.639 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.663 ' CG ' ' NH2' ' A' ' 109' ' ' ARG . 9.2 p90 -111.35 57.49 0.63 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.614 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.2 t -74.61 -26.88 60.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.596 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . 0.534 ' O ' ' C ' ' A' ' 103' ' ' GLY . 54.1 p-10 -155.58 -18.3 0.11 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.561 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.534 ' C ' ' O ' ' A' ' 102' ' ' ASP . . . -26.43 -80.71 0.01 OUTLIER Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . 0.608 ' O ' ' CG ' ' A' ' 105' ' ' PHE . 9.2 m-20 174.53 34.42 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.749 0.309 . . . . 0.0 110.572 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.608 ' CG ' ' O ' ' A' ' 104' ' ' ASN . 29.5 p90 42.67 29.1 0.15 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.571 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.538 ' OD1' ' NE ' ' A' ' 109' ' ' ARG . 5.1 p-10 -52.13 -110.47 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.582 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' TRP . . . . . 0.525 ' HB2' ' O ' ' A' ' 106' ' ' ASN . 6.7 t90 174.54 -26.12 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.561 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . 0.439 ' O ' HG13 ' A' ' 111' ' ' VAL . . . -50.06 -42.22 39.22 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . 0.695 ' CD ' ' H ' ' A' ' 109' ' ' ARG . 0.0 OUTLIER -47.98 -26.24 1.69 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.831 0.348 . . . . 0.0 110.624 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.473 HG23 ' NE1' ' A' ' 107' ' ' TRP . 34.6 t -52.4 -57.96 3.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.52 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.556 ' CG1' ' N ' ' A' ' 112' ' ' ALA . 4.6 p -45.28 -46.82 3.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.529 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.556 ' N ' ' CG1' ' A' ' 111' ' ' VAL . . . -58.11 -34.84 70.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.509 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.2 tt -56.99 -46.88 81.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.583 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -57.26 -43.96 83.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.557 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 92.3 t80 -67.94 -43.58 78.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.536 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 91.9 t80 -59.16 -41.78 89.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.529 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -71.0 -32.51 69.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.499 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 5.7 t -48.68 -44.28 37.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.553 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.82 ' O ' ' CB ' ' A' ' 123' ' ' LYS . 55.9 mmtt -59.8 -43.73 94.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.542 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 53.8 mt -68.02 -31.34 70.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.521 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.405 ' O ' ' CD1' ' A' ' 133' ' ' ILE . 53.8 t -77.11 -53.5 14.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.567 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 70.0 mt -72.87 -41.0 65.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.518 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.82 ' CB ' ' O ' ' A' ' 119' ' ' LYS . 62.6 tttm -58.04 -41.13 82.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.53 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.519 ' O ' ' OG1' ' A' ' 127' ' ' THR . . . -75.67 -21.83 57.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.551 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 6.2 tt -63.23 -32.18 73.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.554 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 85.0 m -83.2 -35.71 25.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.628 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' THR . . . . . 0.754 ' O ' ' HB2' ' A' ' 128' ' ' LYS . 36.7 p -53.66 -19.01 3.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.533 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.754 ' HB2' ' O ' ' A' ' 127' ' ' THR . 64.2 mttm 87.15 45.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.532 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . 0.503 ' CG2' ' OG1' ' A' ' 127' ' ' THR . 0.2 OUTLIER -148.7 88.19 5.32 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.551 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -70.36 -13.14 32.85 Favored 'Trans proline' 0 C--N 1.307 -1.653 0 C-N-CA 122.769 2.312 . . . . 0.0 112.075 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -65.07 -41.28 95.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.536 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 8.4 mp -61.36 -34.5 75.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.41 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . 0.433 HD11 HG21 ' A' ' 133' ' ' ILE . 21.4 mm -56.14 -50.53 70.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.466 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 41.5 mtm105 -68.95 -34.9 76.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.509 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 16.8 m -67.25 -31.84 72.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.496 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 44.4 mt -69.78 -59.02 3.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.485 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' MET . . . . . 0.426 ' O ' ' OG1' ' A' ' 140' ' ' THR . 82.7 mtp -46.29 -25.43 0.63 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.537 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -68.81 -40.42 85.02 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -66.4 -24.37 66.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.871 0.367 . . . . 0.0 110.562 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' THR . . . . . 0.47 ' OG1' ' N ' ' A' ' 141' ' ' LEU . 22.4 p -75.57 -65.85 0.85 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.529 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . 0.47 ' N ' ' OG1' ' A' ' 140' ' ' THR . 54.2 mt -51.73 -33.69 35.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.525 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -65.73 -51.01 62.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.58 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . 0.447 ' O ' ' HB2' ' A' ' 147' ' ' ARG . 4.7 t80 -66.89 -38.82 86.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.551 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 1.8 tp -71.07 -35.52 71.91 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.568 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 58.8 ttp180 -82.97 -10.72 58.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.597 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -111.97 -4.62 14.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.536 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . 1.155 ' O ' ' N ' ' A' ' 149' ' ' LEU . 17.9 mtp180 -142.21 -110.84 0.13 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.604 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . 0.698 ' O ' ' N ' ' A' ' 152' ' ' ILE . 1.0 OUTLIER -15.42 -27.7 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.558 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . 1.155 ' N ' ' O ' ' A' ' 147' ' ' ARG . 46.6 tp -49.06 -56.36 9.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.542 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -63.97 -50.57 59.88 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 151' ' ' TRP . . . . . . . . . . . . . 99.5 m95 -66.23 -55.84 14.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.804 0.335 . . . . 0.0 110.595 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 152' ' ' ILE . . . . . 0.698 ' N ' ' O ' ' A' ' 148' ' ' LEU . 10.1 tt -51.33 -34.32 14.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.564 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -67.44 -31.39 71.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.535 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -88.91 -4.6 58.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.543 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -97.41 0.78 48.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.591 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 83.66 24.65 49.29 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 89.81 -160.42 28.73 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . 52.7 m95 -73.92 -5.57 41.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.768 0.318 . . . . 0.0 110.569 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . 0.403 ' C ' ' OD1' ' A' ' 159' ' ' ASP . 62.4 t0 -60.9 -42.48 98.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.579 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -54.43 -32.13 52.04 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 2.0 tt -62.92 -54.07 44.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.816 0.341 . . . . 0.0 110.514 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 43.8 tp -67.1 -31.05 71.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.539 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 21.3 t -66.77 -26.25 66.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.633 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 164' ' ' TYR . . . . . 0.419 ' C ' ' H ' ' A' ' 166' ' ' GLY . 90.3 t80 -76.64 -42.67 41.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.556 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -71.66 48.13 0.15 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.539 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 166' ' ' GLY . . . . . 0.419 ' H ' ' C ' ' A' ' 164' ' ' TYR . . . -131.11 39.17 1.82 Allowed Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 167' ' ' THR . . . . . 0.919 ' OG1' ' HD2' ' A' ' 168' ' ' PRO . 0.6 OUTLIER -108.73 -179.99 0.77 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 120.935 0.398 . . . . 0.0 110.523 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 168' ' ' PRO . . . . . 1.451 ' CD ' ' HD3' ' A' ' 168' ' ' PRO . 50.9 Cg_endo -73.17 -146.26 0.02 OUTLIER 'Trans proline' 0 C--N 1.306 -1.677 0 C-N-CA 122.743 2.295 . . . . 0.0 112.068 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 169' ' ' THR . . . . . 0.595 ' C ' ' O ' ' A' ' 168' ' ' PRO . 4.1 p -22.57 101.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.522 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 170' ' ' TRP . . . . . 0.621 ' O ' HG23 ' A' ' 173' ' ' VAL . 28.3 p90 -65.08 -18.39 65.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.627 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 171' ' ' GLN . . . . . 0.532 ' NE2' ' OG1' ' A' ' 172' ' ' THR . 4.5 pp0? -47.43 -14.16 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.542 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 172' ' ' THR . . . . . 0.532 ' OG1' ' NE2' ' A' ' 171' ' ' GLN . 97.1 m -86.89 -29.49 22.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.53 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 173' ' ' VAL . . . . . 0.621 HG23 ' O ' ' A' ' 170' ' ' TRP . 2.0 m -72.14 -45.61 61.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.59 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 174' ' ' THR . . . . . 0.564 ' N ' ' CG2' ' A' ' 173' ' ' VAL . 24.9 m -64.55 -24.96 67.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.584 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 175' ' ' ILE . . . . . 0.434 HG23 ' O ' ' A' ' 172' ' ' THR . 1.8 tt -85.73 -7.55 10.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.574 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 176' ' ' PHE . . . . . . . . . . . . . 62.3 t80 -94.59 -60.12 1.78 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.568 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 3.1 m -62.11 -16.62 16.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.623 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 178' ' ' ALA . . . . . 0.633 ' O ' ' OG1' ' A' ' 182' ' ' THR . . . -95.58 -46.02 6.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.487 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -62.24 -26.23 67.51 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 180' ' ' VAL . . . . . 0.52 ' CG1' ' N ' ' A' ' 181' ' ' LEU . 13.6 p -86.17 -51.83 12.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.826 0.346 . . . . 0.0 110.554 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . 0.52 ' N ' ' CG1' ' A' ' 180' ' ' VAL . 45.9 tp -69.24 -48.06 62.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.557 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 182' ' ' THR . . . . . 0.633 ' OG1' ' O ' ' A' ' 178' ' ' ALA . 25.7 m -50.39 -51.46 46.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.546 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -47.27 -45.77 24.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.581 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 184' ' ' SER . . . . . . . . . . . . . 29.4 t -54.37 -37.94 65.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.556 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 66.1 mt -77.63 -21.73 51.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.564 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 21.9 m -73.28 -44.81 58.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.538 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 187' ' ' ILE . . . . . 0.506 ' O ' ' C ' ' A' ' 188' ' ' TRP . 12.3 tt -73.63 -51.63 24.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.585 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 188' ' ' TRP . . . . . 0.506 ' C ' ' O ' ' A' ' 187' ' ' ILE . 0.2 OUTLIER -30.77 -56.93 0.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.57 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 7.6 mmtt -175.71 128.28 0.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.572 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 190' ' ' LYS . . . . . . . . . . . . . 16.4 pttm -109.9 89.52 3.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.555 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 191' ' ' MET . . . . . . . . . . . . . 93.0 mtp -128.6 136.62 50.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.576 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.717 0 CA-C-O 118.023 -1.432 . . . . 0.0 110.866 -179.965 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 130' ' ' CYS . . . . . . . . . . . . . 8.8 t . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 131' ' ' GLU . . . . . . . . . . . . . 73.5 tt0 -71.73 -46.87 57.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.601 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -54.56 144.38 21.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.573 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 86.0 mt -70.77 135.44 48.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.592 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 134' ' ' LYS . . . . . . . . . . . . . 52.1 tttp -143.3 143.85 31.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.569 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 135' ' ' LYS . . . . . 0.449 ' HB3' ' HZ1' ' B' ' 135' ' ' LYS . 0.2 OUTLIER 58.94 159.46 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.62 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 136' ' ' ALA . . . . . 0.427 ' CB ' ' CE1' ' B' ' 140' ' ' HIS . . . 68.14 5.06 4.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.547 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 96.1 mt -65.21 -39.87 93.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.493 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 138' ' ' ARG . . . . . 0.523 ' O ' ' HB2' ' B' ' 142' ' ' PHE . 10.6 ptp85 -153.1 -5.85 0.19 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.522 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 139' ' ' ARG . . . . . . . . . . . . . 73.5 mmt-85 -58.99 -44.52 91.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.521 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 140' ' ' HIS . . . . . 0.785 ' O ' ' N ' ' B' ' 143' ' ' LEU . 5.5 m170 -81.22 -67.64 0.76 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.497 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 141' ' ' ARG . . . . . 0.503 ' C ' ' O ' ' B' ' 140' ' ' HIS . 0.0 OUTLIER -31.13 -30.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.487 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 142' ' ' PHE . . . . . 0.652 ' N ' ' O ' ' B' ' 140' ' ' HIS . 6.2 m-85 -94.01 -28.19 15.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.469 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 143' ' ' LEU . . . . . 0.785 ' N ' ' O ' ' B' ' 140' ' ' HIS . 41.1 tp -60.44 -32.66 71.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.623 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 144' ' ' TRP . . . . . 0.663 ' HE1' ' NE2' ' B' ' 148' ' ' GLN . 60.7 t-105 -88.62 -53.0 4.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.553 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 145' ' ' GLN . . . . . 0.433 ' C ' ' O ' ' B' ' 144' ' ' TRP . 7.9 tt0 -36.33 -68.7 0.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.556 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 146' ' ' ARG . . . . . . . . . . . . . 43.0 ttm180 -55.41 -43.34 75.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.571 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 147' ' ' ARG . . . . . 0.456 ' O ' ' O ' ' B' ' 144' ' ' TRP . 81.7 mtp180 -99.64 94.35 6.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.507 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 148' ' ' GLN . . . . . 0.663 ' NE2' ' HE1' ' B' ' 144' ' ' TRP . 54.4 tt0 -160.42 100.57 1.34 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.585 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 83.3 mtt85 -66.01 -38.54 88.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.555 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 150' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.514 0 CA-C-O 117.998 -1.001 . . . . 0.0 110.617 179.957 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.3 ptt? . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 1.161 ' O ' ' N ' ' A' ' 4' ' ' SER . 45.6 p30 -49.75 -50.89 42.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.567 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.939 ' N ' ' OD1' ' A' ' 2' ' ' ASP . . . 10.59 -52.73 0.0 OUTLIER Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 1.161 ' N ' ' O ' ' A' ' 2' ' ' ASP . 49.5 m -64.14 -92.14 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.801 0.334 . . . . 0.0 110.57 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -168.31 -145.7 4.67 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.81 ' O ' ' CB ' ' A' ' 7' ' ' GLN . 1.0 OUTLIER -151.52 87.55 1.38 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.763 0.316 . . . . 0.0 110.536 -179.955 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.817 ' H ' ' HD3' ' A' ' 8' ' ' PRO . 8.7 tp-100 122.33 42.6 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.592 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.817 ' HD3' ' H ' ' A' ' 7' ' ' GLN . 55.8 Cg_endo -73.96 125.63 10.02 Favored 'Trans proline' 0 C--N 1.305 -1.761 0 C-N-CA 122.763 2.309 . . . . 0.0 112.174 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 42.8 mtp180 -65.72 137.45 57.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.534 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.693 ' O ' ' N ' ' A' ' 12' ' ' GLY . . . 151.48 30.67 0.04 OUTLIER Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -59.33 56.57 0.01 OUTLIER Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.693 ' N ' ' O ' ' A' ' 10' ' ' GLY . . . -108.27 -62.8 0.55 Allowed Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.884 -0.887 . . . . 0.0 110.884 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.477 ' HD2' ' O ' ' A' ' 10' ' ' GLY . 61.3 Cg_exo -46.49 -49.63 11.6 Favored 'Trans proline' 0 C--N 1.305 -1.736 0 C-N-CA 122.827 2.351 . . . . 0.0 112.114 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 51.6 p -62.9 95.63 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.533 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.728 ' O ' HD11 ' A' ' 19' ' ' ILE . 2.6 p -109.76 -154.17 0.53 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.612 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.421 ' H ' ' HB2' ' A' ' 15' ' ' SER . 8.5 m -88.38 -9.48 52.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.56 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -79.94 -51.53 8.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.505 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.472 ' CD ' ' O ' ' A' ' 18' ' ' GLN . 22.2 tm0? -66.99 -24.26 66.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.494 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.728 HD11 ' O ' ' A' ' 15' ' ' SER . 93.9 mt -81.64 -55.45 7.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.535 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 53.0 ttp -53.06 -36.69 60.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.528 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.411 ' O ' ' HB2' ' A' ' 25' ' ' LEU . 34.4 mmtm -67.19 -46.21 74.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.516 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.467 ' HG1' ' NE2' ' A' ' 18' ' ' GLN . 32.0 m -72.31 -7.85 51.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.463 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -79.64 -53.97 4.13 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.537 ' O ' ' OE1' ' A' ' 28' ' ' GLN . . . -78.46 -9.07 59.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.762 0.315 . . . . 0.0 110.48 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.547 ' O ' ' C ' ' A' ' 26' ' ' LEU . 2.1 mp -86.86 -80.62 0.24 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.544 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.547 ' C ' ' O ' ' A' ' 25' ' ' LEU . 55.9 tp -26.97 -65.73 0.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.636 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.529 ' O ' HG12 ' A' ' 31' ' ' ILE . 6.3 tt -51.21 -57.93 7.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.541 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.537 ' OE1' ' O ' ' A' ' 24' ' ' ALA . 1.8 mp0 -47.42 -18.17 0.11 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.58 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.537 ' O ' ' N ' ' A' ' 31' ' ' ILE . . . -88.44 -72.67 1.28 Allowed Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 41.9 t80 -42.21 -18.93 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.828 0.347 . . . . 0.0 110.607 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.537 ' N ' ' O ' ' A' ' 29' ' ' GLY . 31.0 mm -76.95 -69.08 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.595 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.589 ' HG2' ' O ' ' A' ' 32' ' ' GLN . 49.7 tt0 -79.03 30.14 0.21 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.548 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.448 ' H ' ' C ' ' A' ' 31' ' ' ILE . 67.4 t0 -113.08 -50.88 2.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.586 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.47 ' NH2' ' OD2' ' A' ' 71' ' ' ASP . 14.6 ptm180 -91.5 -26.49 18.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.588 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -99.76 -12.3 20.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.525 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -72.46 155.6 51.43 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 75.7 ttt180 -130.17 133.88 46.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.805 0.336 . . . . 0.0 110.531 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 64.9 mtt -61.16 -49.07 78.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.555 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -80.97 0.8 86.55 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -73.24 146.05 37.1 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.422 ' HA ' ' OE1' ' A' ' 41' ' ' GLU . 37.9 tp10 -124.7 152.49 43.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.789 0.328 . . . . 0.0 110.528 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 57.31 75.2 0.58 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.568 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -71.08 134.52 25.36 Favored 'Trans proline' 0 C--N 1.303 -1.819 0 C-N-CA 122.862 2.375 . . . . 0.0 112.131 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -77.3 -16.08 59.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.606 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.424 HD22 ' O ' ' A' ' 28' ' ' GLN . 18.5 tp -93.16 67.82 4.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.519 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.564 ' O ' ' CB ' ' A' ' 47' ' ' LEU . . . -87.92 127.53 35.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.535 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.564 ' CB ' ' O ' ' A' ' 46' ' ' ALA . 22.5 tp 156.89 -39.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.569 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 35.0 m-20 -122.45 67.75 28.59 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.575 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.43 ' HD3' ' C ' ' A' ' 47' ' ' LEU . 50.6 Cg_exo -49.33 -50.74 12.16 Favored 'Trans proline' 0 C--N 1.306 -1.708 0 C-N-CA 122.902 2.401 . . . . 0.0 112.145 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.46 ' O ' ' O ' ' A' ' 51' ' ' PRO . 19.0 m -139.54 140.89 26.61 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.683 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.46 ' O ' ' O ' ' A' ' 50' ' ' VAL . 40.8 Cg_exo -52.7 -158.93 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.723 0 C-N-CA 122.782 2.321 . . . . 0.0 112.072 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.448 ' C ' ' CD ' ' A' ' 52' ' ' GLN . 5.2 tm0? -149.64 -62.12 0.22 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.478 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 48.3 p-10 -114.23 158.01 21.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.533 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -78.46 -0.78 30.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.573 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 23.0 m -65.61 -39.52 91.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.564 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 12.5 t -83.74 -34.01 24.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.525 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -49.06 -55.11 13.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.552 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 30.0 ttpt -59.42 -48.51 81.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.587 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.402 ' CD2' ' O ' ' A' ' 59' ' ' LEU . 0.8 OUTLIER -61.2 -26.12 67.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.625 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.6 t -71.52 -35.31 70.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.527 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.09 -31.59 72.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.593 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 94.0 m -64.39 -37.75 88.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.532 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.427 ' CD1' ' N ' ' A' ' 63' ' ' LEU . 9.0 mp -75.41 -24.57 57.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.588 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 65.3 tttp -84.2 -36.81 22.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.595 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.425 ' O ' ' OE2' ' A' ' 69' ' ' GLU . 79.5 ttt180 -68.26 -44.88 74.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.591 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 18.8 tt -76.06 -35.2 28.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.586 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.424 ' O ' ' CB ' ' A' ' 71' ' ' ASP . . . -60.79 -45.5 96.34 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.418 ' OD1' ' O ' ' A' ' 68' ' ' ASP . 68.5 t0 -62.79 -34.39 77.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.804 0.335 . . . . 0.0 110.54 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.549 ' OE1' ' N ' ' A' ' 69' ' ' GLU . 0.3 OUTLIER -79.51 -58.69 3.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.527 -179.952 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 2.1 mt -55.01 -43.05 73.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.593 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.47 ' OD2' ' NH2' ' A' ' 34' ' ' ARG . 55.8 t0 -65.07 -8.72 17.66 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.581 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.5 t -96.39 7.06 47.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.6 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -93.0 111.36 22.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.576 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 98.1 mmm -68.23 -11.21 58.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.58 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -80.41 -67.23 0.79 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.571 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 54.9 tp -59.81 -40.27 87.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.585 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 7.2 tm0? -61.87 -37.86 86.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.579 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 76.1 ttt180 -68.6 -44.83 73.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.578 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 74.0 mtp -54.55 -43.96 72.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.536 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.516 ' O ' HG12 ' A' ' 83' ' ' VAL . 84.0 mt -62.31 -23.7 32.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.519 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -86.09 -18.67 31.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.541 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -86.4 -15.48 40.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.585 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.612 ' O ' ' CG1' ' A' ' 83' ' ' VAL . 8.2 p -89.35 82.81 2.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.522 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.423 ' O ' ' O ' ' A' ' 83' ' ' VAL . 53.0 p-10 -40.62 162.43 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.552 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 72.8 p -119.63 119.99 35.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.585 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -148.9 -0.2 0.52 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.445 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.426 ' O ' HG11 ' A' ' 91' ' ' VAL . 45.8 t -175.83 88.6 0.29 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.493 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.495 ' O ' ' CB ' ' A' ' 92' ' ' PHE . 37.5 Cg_endo -69.27 -15.17 38.72 Favored 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.787 2.325 . . . . 0.0 112.116 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 16.8 ptt-85 -86.51 -33.95 20.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.573 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -79.55 -57.26 3.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.58 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.468 ' CG1' ' N ' ' A' ' 92' ' ' PHE . 9.0 p -57.7 -51.1 74.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.501 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.495 ' CB ' ' O ' ' A' ' 88' ' ' PRO . 85.7 t80 -46.3 -52.06 13.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.471 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -67.97 -30.38 69.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.529 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 16.0 tpp180 -71.58 -57.95 3.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.503 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.445 ' CG2' ' N ' ' A' ' 96' ' ' ALA . 27.2 m -59.33 -48.04 88.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.567 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.445 ' N ' ' CG2' ' A' ' 95' ' ' VAL . . . -55.2 -27.61 47.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.581 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -81.93 -38.89 24.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.518 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 99' ' ' MET . 99.1 m-20 -63.1 -38.73 92.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.581 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' MET . . . . . 0.496 ' HB2' HH21 ' A' ' 109' ' ' ARG . 64.7 mtt -38.36 -68.81 0.14 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.594 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.6 ' CD2' ' O ' ' A' ' 100' ' ' PHE . 16.3 p90 -111.29 57.48 0.63 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.568 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.2 t -74.72 -26.76 60.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.552 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . 0.532 ' O ' ' C ' ' A' ' 103' ' ' GLY . 54.6 p-10 -155.64 -18.35 0.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.52 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.532 ' C ' ' O ' ' A' ' 102' ' ' ASP . . . -26.25 -80.71 0.01 OUTLIER Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . 0.606 ' O ' ' CG ' ' A' ' 105' ' ' PHE . 10.1 m-20 174.49 34.36 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.795 0.331 . . . . 0.0 110.597 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.606 ' CG ' ' O ' ' A' ' 104' ' ' ASN . 27.8 p90 42.67 29.0 0.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.616 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.544 ' CG ' ' H ' ' A' ' 107' ' ' TRP . 28.2 p30 -52.07 -110.46 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.559 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' TRP . . . . . 0.544 ' H ' ' CG ' ' A' ' 106' ' ' ASN . 6.5 t90 174.67 -26.28 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.542 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . 0.438 ' O ' HG13 ' A' ' 111' ' ' VAL . . . -50.14 -42.06 39.65 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . 0.496 HH21 ' HB2' ' A' ' 99' ' ' MET . 0.0 OUTLIER -48.1 -26.2 1.76 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.847 0.356 . . . . 0.0 110.506 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.48 ' N ' ' HD3' ' A' ' 109' ' ' ARG . 36.5 t -52.49 -57.93 3.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.553 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.554 ' CG1' ' N ' ' A' ' 112' ' ' ALA . 4.7 p -45.24 -46.79 3.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.578 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.554 ' N ' ' CG1' ' A' ' 111' ' ' VAL . . . -58.09 -34.98 70.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.525 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 1.9 tt -57.0 -46.87 81.96 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.557 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -57.16 -44.05 83.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.495 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 93.1 t80 -68.01 -43.63 78.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.508 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 93.2 t80 -59.0 -41.79 88.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.58 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -71.03 -32.53 69.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.56 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 5.3 t -48.6 -44.43 37.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.581 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.818 ' O ' ' CB ' ' A' ' 123' ' ' LYS . 57.8 mmtt -59.63 -43.71 93.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.497 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 52.6 mt -68.02 -31.57 71.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.544 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.402 ' O ' ' CD1' ' A' ' 133' ' ' ILE . 55.8 t -76.84 -53.5 14.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.602 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 70.7 mt -72.89 -41.0 65.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.493 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.818 ' CB ' ' O ' ' A' ' 119' ' ' LYS . 65.4 tttm -58.01 -41.25 82.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.571 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.535 ' O ' ' OG1' ' A' ' 127' ' ' THR . . . -75.44 -22.23 57.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.504 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 37.5 tp -62.9 -32.4 73.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.548 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 1.6 t -82.9 -36.02 25.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.55 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' THR . . . . . 0.767 ' O ' ' HB2' ' A' ' 128' ' ' LYS . 33.2 p -53.21 -19.15 2.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.59 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.767 ' HB2' ' O ' ' A' ' 127' ' ' THR . 66.3 mttm 87.62 44.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.584 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . 0.482 ' CG2' ' OG1' ' A' ' 127' ' ' THR . 0.5 OUTLIER -147.74 89.53 5.34 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.601 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -71.6 -13.73 30.09 Favored 'Trans proline' 0 C--N 1.304 -1.774 0 C-N-CA 122.713 2.275 . . . . 0.0 112.006 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -65.06 -40.68 95.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.555 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 8.6 mp -61.57 -34.08 74.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.472 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . 0.419 HD13 HG21 ' A' ' 133' ' ' ILE . 21.2 mm -56.81 -50.16 76.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.489 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 78.9 mtp85 -69.09 -34.81 75.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.543 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 7.2 m -67.2 -31.89 72.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.514 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 39.2 mt -69.9 -58.78 4.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.512 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' MET . . . . . 0.432 ' O ' ' OG1' ' A' ' 140' ' ' THR . 12.2 mtp -46.45 -25.53 0.68 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.52 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -68.69 -40.45 85.55 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' TRP . . . . . 0.518 ' CD1' ' N ' ' A' ' 139' ' ' TRP . 11.9 m0 -66.36 -24.42 66.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.756 0.313 . . . . 0.0 110.508 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' THR . . . . . 0.551 ' HG1' ' N ' ' A' ' 141' ' ' LEU . 23.4 p -75.51 -65.93 0.84 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.526 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . 0.551 ' N ' ' HG1' ' A' ' 140' ' ' THR . 53.4 mt -51.71 -33.71 35.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.48 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -65.65 -51.12 61.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.577 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . 0.527 ' O ' ' HB2' ' A' ' 147' ' ' ARG . 39.1 t80 -66.86 -38.81 87.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.568 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 1.4 tp -71.12 -35.45 71.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.535 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 59.1 ttp180 -83.06 -10.66 58.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.549 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -111.98 -4.66 14.46 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.569 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . 1.151 ' O ' ' N ' ' A' ' 149' ' ' LEU . 0.7 OUTLIER -142.18 -110.89 0.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.572 -179.902 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . 0.697 ' O ' ' N ' ' A' ' 152' ' ' ILE . 1.0 OUTLIER -15.4 -27.83 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.561 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . 1.151 ' N ' ' O ' ' A' ' 147' ' ' ARG . 42.2 tp -49.02 -56.37 9.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.567 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -63.8 -50.67 59.64 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 151' ' ' TRP . . . . . . . . . . . . . 95.5 m95 -66.29 -55.82 14.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.784 0.326 . . . . 0.0 110.559 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 152' ' ' ILE . . . . . 0.697 ' N ' ' O ' ' A' ' 148' ' ' LEU . 9.5 tt -51.37 -34.21 14.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.581 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 55.8 tt0 -67.48 -31.2 71.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.594 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -89.21 -4.54 58.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.574 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -97.4 0.63 48.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.548 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 83.81 24.71 48.49 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 89.71 -160.36 28.82 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . 65.0 m95 -73.85 -5.61 42.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.76 0.315 . . . . 0.0 110.615 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -60.98 -42.36 98.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.569 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -54.4 -32.19 51.89 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 2.0 tt -62.95 -53.99 45.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.818 0.342 . . . . 0.0 110.58 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 56.3 tp -67.06 -31.05 71.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.606 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 5.3 t -66.79 -26.47 66.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.475 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 164' ' ' TYR . . . . . 0.423 ' C ' ' H ' ' A' ' 166' ' ' GLY . 94.3 t80 -76.39 -42.78 43.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.553 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -71.64 47.82 0.14 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.518 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 166' ' ' GLY . . . . . 0.423 ' H ' ' C ' ' A' ' 164' ' ' TYR . . . -130.58 38.6 1.92 Allowed Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 167' ' ' THR . . . . . 1.072 ' OG1' ' HD2' ' A' ' 168' ' ' PRO . 0.6 OUTLIER -108.04 -179.33 0.68 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 120.915 0.388 . . . . 0.0 110.611 179.953 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 168' ' ' PRO . . . . . 1.072 ' HD2' ' OG1' ' A' ' 167' ' ' THR . 56.1 Cg_endo -74.41 -146.71 0.03 OUTLIER 'Trans proline' 0 C--N 1.304 -1.768 0 C-N-CA 122.891 2.394 . . . . 0.0 112.073 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 169' ' ' THR . . . . . 0.6 ' C ' ' O ' ' A' ' 168' ' ' PRO . 32.9 p -21.65 100.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.492 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 170' ' ' TRP . . . . . 0.614 ' O ' HG23 ' A' ' 173' ' ' VAL . 29.5 p90 -64.49 -18.46 64.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.613 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 171' ' ' GLN . . . . . 0.547 ' NE2' ' OG1' ' A' ' 172' ' ' THR . 5.4 pp0? -47.31 -14.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.524 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 172' ' ' THR . . . . . 0.547 ' OG1' ' NE2' ' A' ' 171' ' ' GLN . 99.4 m -87.13 -29.46 21.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.504 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 173' ' ' VAL . . . . . 0.614 HG23 ' O ' ' A' ' 170' ' ' TRP . 2.0 m -72.18 -45.61 61.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.529 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 174' ' ' THR . . . . . 0.566 ' N ' ' CG2' ' A' ' 173' ' ' VAL . 25.1 m -64.59 -24.87 67.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.541 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 175' ' ' ILE . . . . . 0.425 HG23 ' O ' ' A' ' 172' ' ' THR . 1.8 tt -85.79 -7.61 10.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.544 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 176' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -94.52 -60.14 1.78 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.603 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 3.2 m -62.07 -16.75 16.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.516 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 178' ' ' ALA . . . . . 0.632 ' O ' ' OG1' ' A' ' 182' ' ' THR . . . -95.58 -45.86 6.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.567 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -62.36 -26.16 67.64 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 180' ' ' VAL . . . . . 0.52 ' CG1' ' N ' ' A' ' 181' ' ' LEU . 13.7 p -86.25 -51.65 12.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.783 0.325 . . . . 0.0 110.601 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . 0.52 ' N ' ' CG1' ' A' ' 180' ' ' VAL . 40.6 tp -69.33 -47.93 62.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.573 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 182' ' ' THR . . . . . 0.632 ' OG1' ' O ' ' A' ' 178' ' ' ALA . 25.8 m -50.54 -51.32 48.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.551 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -47.45 -45.68 26.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.561 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 184' ' ' SER . . . . . . . . . . . . . 27.5 t -54.47 -37.9 65.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.559 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 61.2 mt -77.55 -21.83 51.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.556 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 21.8 m -73.2 -44.87 59.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.539 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 187' ' ' ILE . . . . . 0.506 ' O ' ' C ' ' A' ' 188' ' ' TRP . 12.5 tt -73.76 -51.46 24.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.634 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 188' ' ' TRP . . . . . 0.506 ' C ' ' O ' ' A' ' 187' ' ' ILE . 0.1 OUTLIER -30.81 -56.94 0.22 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.523 179.94 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 8.0 mmtt -175.71 128.24 0.24 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.538 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 190' ' ' LYS . . . . . . . . . . . . . 14.8 ptmt -109.81 89.56 3.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.679 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 191' ' ' MET . . . . . . . . . . . . . 83.8 mtp -128.64 136.55 50.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.539 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.804 0 CA-C-O 117.996 -1.447 . . . . 0.0 110.941 179.977 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 130' ' ' CYS . . . . . 0.646 ' H3 ' ' HD2' ' B' ' 134' ' ' LYS . 14.5 t . . . . . 0 N--CA 1.491 1.615 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 131' ' ' GLU . . . . . 0.492 ' N ' ' SG ' ' B' ' 130' ' ' CYS . 71.8 mm-40 -71.98 -165.56 0.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.505 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 132' ' ' ALA . . . . . 0.434 ' O ' ' O ' ' B' ' 131' ' ' GLU . . . 51.95 171.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.553 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 83.8 mt -78.35 -4.43 48.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.621 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 134' ' ' LYS . . . . . 0.646 ' HD2' ' H3 ' ' B' ' 130' ' ' CYS . 9.0 mtpm? 45.91 -107.37 0.14 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.554 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 135' ' ' LYS . . . . . . . . . . . . . 30.3 mmtp -93.25 -171.25 2.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.552 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 136' ' ' ALA . . . . . . . . . . . . . . . 64.29 51.56 2.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.607 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 137' ' ' LEU . . . . . 0.587 ' N ' ' CD2' ' B' ' 137' ' ' LEU . 3.4 mm? -74.24 -110.54 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.598 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 138' ' ' ARG . . . . . . . . . . . . . 65.8 ttt180 -64.46 -15.76 61.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.511 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 139' ' ' ARG . . . . . . . . . . . . . 60.5 ttp180 -63.39 -41.39 98.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.595 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 140' ' ' HIS . . . . . 0.614 ' O ' ' N ' ' B' ' 143' ' ' LEU . 1.1 t-160 -80.86 -64.23 1.24 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.539 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 141' ' ' ARG . . . . . 0.454 ' C ' ' O ' ' B' ' 140' ' ' HIS . 70.2 ttt180 -35.24 -32.32 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.525 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 142' ' ' PHE . . . . . 0.503 ' N ' ' O ' ' B' ' 140' ' ' HIS . 84.1 t80 -90.18 -33.13 16.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.608 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 143' ' ' LEU . . . . . 0.614 ' N ' ' O ' ' B' ' 140' ' ' HIS . 29.7 tp -55.31 -35.57 65.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.613 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 144' ' ' TRP . . . . . 0.484 ' O ' ' C ' ' B' ' 145' ' ' GLN . 38.0 t-105 -84.82 -57.38 3.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.53 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 145' ' ' GLN . . . . . 0.484 ' C ' ' O ' ' B' ' 144' ' ' TRP . 70.9 mt-30 -32.94 -69.21 0.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.489 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 146' ' ' ARG . . . . . . . . . . . . . 36.4 ttm180 40.25 54.61 2.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.55 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 147' ' ' ARG . . . . . . . . . . . . . 93.8 mtt180 -65.05 -38.87 92.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.582 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 148' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -74.11 115.05 13.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.593 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 149' ' ' ARG . . . . . 0.442 ' O ' ' HG2' ' B' ' 149' ' ' ARG . 74.0 ttt180 50.14 69.45 0.61 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.601 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 150' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.538 -179.976 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.501 ' HG2' ' N ' ' A' ' 2' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.365 -0.605 . . . . 0.0 109.365 . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.916 ' OD1' ' N ' ' A' ' 3' ' ' GLY . 56.6 p-10 -51.49 -59.08 4.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.509 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.916 ' N ' ' OD1' ' A' ' 2' ' ' ASP . . . 91.18 -66.67 2.4 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 20.7 m -160.51 -45.49 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.738 0.304 . . . . 0.0 110.55 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -172.88 -131.98 1.45 Allowed Glycine 0 CA--C 1.526 0.762 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.81 ' O ' ' CB ' ' A' ' 7' ' ' GLN . 0.2 OUTLIER -140.75 94.16 2.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.758 0.313 . . . . 0.0 110.586 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.866 ' H ' ' CD ' ' A' ' 8' ' ' PRO . 4.5 tp-100 117.43 30.33 0.0 OUTLIER Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.596 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.866 ' CD ' ' H ' ' A' ' 7' ' ' GLN . 43.4 Cg_endo -71.52 121.57 7.83 Favored 'Trans proline' 0 C--N 1.303 -1.819 0 C-N-CA 122.778 2.319 . . . . 0.0 111.951 179.837 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 23.6 mtp180 -88.1 147.65 24.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.685 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.496 ' O ' ' C ' ' A' ' 11' ' ' GLY . . . -155.78 116.46 0.72 Allowed Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.889 -0.885 . . . . 0.0 110.889 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.496 ' C ' ' O ' ' A' ' 10' ' ' GLY . . . -32.3 128.25 0.27 Allowed Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.59 ' N ' ' HD3' ' A' ' 13' ' ' PRO . . . 82.68 50.06 4.86 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 1.077 ' O ' ' N ' ' A' ' 15' ' ' SER . 54.3 Cg_exo -47.21 -60.48 0.86 Allowed 'Trans proline' 0 C--N 1.305 -1.742 0 C-N-CA 122.705 2.27 . . . . 0.0 112.088 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.683 ' C ' ' O ' ' A' ' 13' ' ' PRO . 6.2 p 0.82 48.23 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.536 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 1.077 ' N ' ' O ' ' A' ' 13' ' ' PRO . 10.2 p -36.9 87.31 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.598 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.631 ' N ' ' O ' ' A' ' 14' ' ' THR . 58.2 m -98.74 -14.58 19.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.569 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -93.03 -50.55 5.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.572 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.426 ' NE2' ' OG1' ' A' ' 22' ' ' THR . 15.3 tm0? -55.82 -32.84 63.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.647 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 1.026 HD11 ' O ' ' A' ' 15' ' ' SER . 88.1 mt -75.06 -51.13 22.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.645 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 54.8 ttp -57.39 -36.22 71.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.709 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.0 mtpp -68.11 -43.78 77.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.708 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.426 ' OG1' ' NE2' ' A' ' 18' ' ' GLN . 46.8 m -72.78 -13.64 61.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.635 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -74.85 -54.14 6.0 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.05 -10.89 59.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.797 0.332 . . . . 0.0 110.644 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.532 ' O ' ' C ' ' A' ' 26' ' ' LEU . 36.9 mt -86.31 -78.7 0.27 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.598 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.532 ' C ' ' O ' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -28.69 -64.69 0.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.663 179.933 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.405 ' C ' ' N ' ' A' ' 29' ' ' GLY . 6.0 tp -52.34 -56.72 12.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.641 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.449 ' O ' ' OE1' ' A' ' 28' ' ' GLN . 0.9 OUTLIER -48.49 -18.1 0.21 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.579 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.531 ' O ' ' N ' ' A' ' 31' ' ' ILE . . . -88.63 -72.29 1.27 Allowed Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 41.9 t80 -42.51 -18.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.789 0.328 . . . . 0.0 110.532 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.531 ' N ' ' O ' ' A' ' 29' ' ' GLY . 87.1 mt -76.94 -68.95 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.613 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.555 ' O ' ' HG3' ' A' ' 32' ' ' GLN . 55.4 tp60 -79.06 29.8 0.21 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.533 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.449 ' H ' ' C ' ' A' ' 31' ' ' ILE . 59.3 t0 -112.76 -51.17 2.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.529 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 -91.21 -27.02 18.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.536 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -98.89 -13.05 20.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.576 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -94.96 118.28 5.81 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.845 -0.902 . . . . 0.0 110.845 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 95.8 mtt-85 -75.34 -119.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.784 0.326 . . . . 0.0 110.504 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 53.3 ttp -62.43 -42.74 99.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.515 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 84.86 173.23 49.77 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 74.08 9.78 80.57 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.946 -0.861 . . . . 0.0 110.946 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 31.5 tp10 -111.82 56.16 0.66 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.749 0.309 . . . . 0.0 110.551 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.61 ' N ' ' HD3' ' A' ' 43' ' ' PRO . . . 61.62 50.81 1.91 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.563 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.61 ' HD3' ' N ' ' A' ' 42' ' ' ALA . 50.5 Cg_exo -48.95 153.93 3.56 Favored 'Trans proline' 0 C--N 1.305 -1.748 0 C-N-CA 122.848 2.365 . . . . 0.0 112.074 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 51.3 mp0 -91.83 -13.01 32.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.615 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.44 ' HG ' ' O ' ' A' ' 45' ' ' LEU . 43.3 tp -97.5 61.23 1.64 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.596 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.531 ' O ' ' HB2' ' A' ' 47' ' ' LEU . . . -66.83 143.89 56.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.535 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.696 ' CG ' ' H ' ' A' ' 48' ' ' ASP . 3.3 tp 174.86 -149.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.51 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.696 ' H ' ' CG ' ' A' ' 47' ' ' LEU . 10.9 p-10 -105.0 83.25 0.79 Allowed Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.469 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.46 ' HD3' ' O ' ' A' ' 47' ' ' LEU . 33.4 Cg_endo -67.7 105.9 1.19 Allowed 'Trans proline' 0 C--N 1.306 -1.701 0 C-N-CA 122.726 2.284 . . . . 0.0 112.019 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 4.6 m -124.4 91.46 49.49 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.577 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -65.67 1.0 2.47 Favored 'Trans proline' 0 C--N 1.306 -1.702 0 C-N-CA 122.75 2.3 . . . . 0.0 112.087 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.555 ' O ' ' O ' ' A' ' 53' ' ' ASP . 53.2 mt-30 -70.57 -174.78 0.93 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.488 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.555 ' O ' ' O ' ' A' ' 52' ' ' GLN . 68.2 t0 44.66 105.09 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.579 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -79.66 1.77 25.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.603 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 44.0 m -62.31 -38.92 91.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.544 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 76.9 p -83.98 -34.17 24.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.596 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -49.19 -55.26 13.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.595 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -59.31 -48.51 81.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.61 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.26 -26.07 67.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.605 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.5 t -71.57 -35.27 70.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.508 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 76.1 mt-10 -64.09 -31.58 72.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.539 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 90.8 m -64.47 -37.67 88.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.498 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 10.1 mp -75.41 -24.61 57.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.577 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -84.32 -36.6 22.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.626 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.428 ' O ' ' OE2' ' A' ' 69' ' ' GLU . 99.7 mtt180 -68.52 -44.5 74.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.556 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 20.6 tt -76.42 -35.07 26.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.638 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.425 ' O ' ' CB ' ' A' ' 71' ' ' ASP . . . -61.02 -45.41 96.65 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -62.68 -34.37 76.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.782 0.325 . . . . 0.0 110.59 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.549 ' OE1' ' N ' ' A' ' 69' ' ' GLU . 0.3 OUTLIER -79.63 -58.45 3.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.596 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.16 -43.11 73.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.514 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.425 ' CB ' ' O ' ' A' ' 67' ' ' GLY . 38.7 t70 -64.97 -8.83 17.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.561 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.9 t -96.38 7.05 47.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.525 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -92.93 111.44 23.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.578 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.954 ' SD ' ' OE2' ' B' ' 131' ' ' GLU . 41.8 ttp -68.33 -11.12 59.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.513 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -80.44 -67.21 0.79 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.549 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 7.2 tp -59.82 -40.28 87.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.598 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 8.3 tm0? -61.85 -37.9 86.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.552 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 74.2 ttt180 -68.49 -44.9 73.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.587 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 74.1 mtp -54.56 -43.8 72.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.588 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.505 ' O ' HG12 ' A' ' 83' ' ' VAL . 84.4 mt -62.4 -23.73 33.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.531 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -86.06 -18.64 31.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.619 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -86.6 -15.15 40.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.569 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.621 ' O ' ' CG1' ' A' ' 83' ' ' VAL . 7.3 p -89.66 82.68 2.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.608 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.411 ' O ' ' O ' ' A' ' 83' ' ' VAL . 55.4 p-10 -40.73 161.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.524 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 67.3 p -119.23 119.65 34.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.549 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -148.4 -0.15 0.57 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.472 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.406 ' O ' HG11 ' A' ' 91' ' ' VAL . 37.1 t -175.84 87.69 0.29 Allowed Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.545 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.497 ' O ' ' CB ' ' A' ' 92' ' ' PHE . 36.3 Cg_endo -68.28 -15.4 42.39 Favored 'Trans proline' 0 C--N 1.305 -1.76 0 C-N-CA 122.829 2.353 . . . . 0.0 112.065 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 33.6 ptt-85 -85.66 -35.6 20.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.532 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -78.13 -58.38 3.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.567 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.485 ' CG1' ' N ' ' A' ' 92' ' ' PHE . 10.2 p -56.28 -51.71 60.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.538 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.497 ' CB ' ' O ' ' A' ' 88' ' ' PRO . 85.9 t80 -45.84 -52.43 11.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.503 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -67.74 -30.61 70.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.474 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 15.9 tpp180 -71.33 -58.0 3.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.582 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.447 ' CG2' ' N ' ' A' ' 96' ' ' ALA . 28.4 m -59.36 -48.05 88.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.538 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.447 ' N ' ' CG2' ' A' ' 95' ' ' VAL . . . -55.13 -27.72 47.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.529 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -81.76 -38.89 24.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.571 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.41 ' O ' ' C ' ' A' ' 99' ' ' MET . 99.7 m-20 -63.22 -38.64 91.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.537 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' MET . . . . . 0.496 ' HB2' HH21 ' A' ' 109' ' ' ARG . 63.9 mtt -38.29 -68.92 0.14 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.554 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.601 ' CD2' ' O ' ' A' ' 100' ' ' PHE . 16.5 p90 -111.3 57.51 0.63 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.531 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.4 t -74.64 -26.83 60.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.533 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . 0.552 ' O ' ' C ' ' A' ' 103' ' ' GLY . 55.7 p-10 -155.59 -18.4 0.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.59 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.552 ' C ' ' O ' ' A' ' 102' ' ' ASP . . . -26.3 -80.72 0.01 OUTLIER Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . 0.608 ' O ' ' CG ' ' A' ' 105' ' ' PHE . 10.6 m-20 174.5 34.44 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.841 0.353 . . . . 0.0 110.522 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.608 ' CG ' ' O ' ' A' ' 104' ' ' ASN . 30.7 p90 42.61 29.19 0.15 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.541 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.549 ' CG ' ' H ' ' A' ' 107' ' ' TRP . 28.5 p30 -52.16 -110.43 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.541 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' TRP . . . . . 0.549 ' H ' ' CG ' ' A' ' 106' ' ' ASN . 6.4 t90 174.53 -26.22 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.522 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . 0.445 ' O ' HG13 ' A' ' 111' ' ' VAL . . . -50.06 -42.16 39.13 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . 0.496 HH21 ' HB2' ' A' ' 99' ' ' MET . 0.0 OUTLIER -48.14 -26.1 1.74 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.764 0.316 . . . . 0.0 110.494 -179.921 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.484 HG23 ' NE1' ' A' ' 107' ' ' TRP . 37.4 t -52.63 -57.84 3.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.569 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.552 ' CG1' ' N ' ' A' ' 112' ' ' ALA . 4.8 p -45.3 -46.78 3.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.589 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.552 ' N ' ' CG1' ' A' ' 111' ' ' VAL . . . -58.13 -34.87 70.71 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.513 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 1.8 tt -56.95 -46.88 81.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.523 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -57.25 -43.99 83.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.554 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 91.9 t80 -68.0 -43.62 78.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.446 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 92.9 t80 -59.04 -41.86 88.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.527 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -70.98 -32.56 69.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.558 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 4.4 t -48.61 -44.34 36.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.554 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.821 ' O ' ' CB ' ' A' ' 123' ' ' LYS . 57.8 mmtt -59.71 -43.67 94.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.538 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 56.4 mt -68.18 -31.28 70.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.535 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.405 ' O ' ' CD1' ' A' ' 133' ' ' ILE . 61.2 t -77.02 -53.56 14.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.572 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 69.4 mt -72.83 -40.98 65.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.596 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.821 ' CB ' ' O ' ' A' ' 119' ' ' LYS . 65.5 tttm -58.16 -41.04 82.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.535 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.524 ' O ' ' OG1' ' A' ' 127' ' ' THR . . . -75.68 -21.89 57.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.534 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 40.3 tp -63.0 -32.29 73.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.598 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . 0.523 ' SG ' ' O ' ' A' ' 123' ' ' LYS . 17.6 p -83.21 -35.72 25.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.587 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' THR . . . . . 0.771 ' O ' ' HB2' ' A' ' 128' ' ' LYS . 35.2 p -53.63 -19.11 3.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.559 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.771 ' HB2' ' O ' ' A' ' 127' ' ' THR . 60.7 mttp 87.61 44.92 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.62 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . 0.498 ' CG2' ' OG1' ' A' ' 127' ' ' THR . 0.2 OUTLIER -147.92 88.79 5.45 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.614 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -70.68 -14.22 33.01 Favored 'Trans proline' 0 C--N 1.305 -1.747 0 C-N-CA 122.737 2.291 . . . . 0.0 112.07 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -64.63 -41.16 96.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.517 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 8.5 mp -60.99 -34.24 74.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.517 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . 0.423 HD12 HG23 ' A' ' 133' ' ' ILE . 21.0 mm -56.74 -50.08 75.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.471 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 17.4 mmm180 -69.22 -34.85 75.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.423 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 7.4 m -67.07 -31.92 72.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.497 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 44.8 mt -69.81 -58.89 4.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.492 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 86.3 mtp -46.46 -25.49 0.68 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.539 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -68.57 -40.56 86.02 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' TRP . . . . . 0.517 ' CD1' ' N ' ' A' ' 139' ' ' TRP . 12.2 m0 -66.34 -24.43 66.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.841 0.353 . . . . 0.0 110.501 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' THR . . . . . 0.504 ' OG1' ' N ' ' A' ' 141' ' ' LEU . 15.4 p -75.49 -65.86 0.84 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.521 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . 1.273 ' H ' ' N ' ' A' ' 141' ' ' LEU . 54.2 mt -51.72 -33.65 35.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.514 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -65.75 -51.01 62.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.613 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . 0.53 ' O ' ' HB2' ' A' ' 147' ' ' ARG . 39.8 t80 -66.85 -38.88 87.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.552 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 2.4 tp -71.1 -35.44 71.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.523 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 58.9 ttp180 -83.08 -10.63 58.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.563 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -112.05 -4.57 14.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.604 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . 1.152 ' O ' ' N ' ' A' ' 149' ' ' LEU . 0.6 OUTLIER -142.28 -110.91 0.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.527 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . 0.697 ' O ' ' N ' ' A' ' 152' ' ' ILE . 1.0 OUTLIER -15.31 -27.8 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.575 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . 1.152 ' N ' ' O ' ' A' ' 147' ' ' ARG . 59.2 tp -49.15 -56.2 9.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.638 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -63.97 -50.62 59.56 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 151' ' ' TRP . . . . . . . . . . . . . 99.6 m95 -66.25 -55.78 14.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.786 0.327 . . . . 0.0 110.613 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 152' ' ' ILE . . . . . 0.697 ' N ' ' O ' ' A' ' 148' ' ' LEU . 10.5 tt -51.35 -34.39 15.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.532 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . 0.493 ' NE2' ' CD1' ' A' ' 149' ' ' LEU . 50.4 mt-30 -67.39 -31.27 71.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.596 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -89.08 -4.47 58.33 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.592 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -97.55 0.82 48.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.609 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 83.73 24.63 49.07 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 89.85 -160.32 28.61 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.949 -0.861 . . . . 0.0 110.949 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . 53.6 m95 -73.94 -5.71 42.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.781 0.324 . . . . 0.0 110.556 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 67.5 t0 -60.88 -42.37 97.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.615 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -54.5 -32.15 52.58 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 2.0 tt -62.89 -54.14 43.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.818 0.342 . . . . 0.0 110.538 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 53.0 tp -67.0 -31.02 71.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.607 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 5.3 t -66.83 -26.28 66.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.483 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 164' ' ' TYR . . . . . 0.422 ' C ' ' H ' ' A' ' 166' ' ' GLY . 93.6 t80 -76.66 -42.56 41.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.567 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -71.67 47.87 0.14 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.611 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 166' ' ' GLY . . . . . 0.422 ' H ' ' C ' ' A' ' 164' ' ' TYR . . . -130.88 39.08 1.84 Allowed Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 167' ' ' THR . . . . . 1.047 ' OG1' ' HD2' ' A' ' 168' ' ' PRO . 0.6 OUTLIER -108.48 -179.81 0.74 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 120.909 0.385 . . . . 0.0 110.558 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 168' ' ' PRO . . . . . 1.047 ' HD2' ' OG1' ' A' ' 167' ' ' THR . 52.8 Cg_endo -73.48 -145.83 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.739 0 C-N-CA 122.837 2.358 . . . . 0.0 112.133 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 169' ' ' THR . . . . . 0.59 ' C ' ' O ' ' A' ' 168' ' ' PRO . 7.3 p -22.88 101.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.61 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 170' ' ' TRP . . . . . 0.62 ' O ' HG23 ' A' ' 173' ' ' VAL . 36.2 p90 -64.65 -18.54 65.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.557 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 171' ' ' GLN . . . . . 0.524 ' NE2' ' OG1' ' A' ' 172' ' ' THR . 5.4 pp0? -47.16 -14.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.604 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 172' ' ' THR . . . . . 0.524 ' OG1' ' NE2' ' A' ' 171' ' ' GLN . 5.2 m -86.78 -29.67 22.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.611 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 173' ' ' VAL . . . . . 0.62 HG23 ' O ' ' A' ' 170' ' ' TRP . 2.0 m -72.02 -45.6 62.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.577 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 174' ' ' THR . . . . . 0.562 ' N ' ' CG2' ' A' ' 173' ' ' VAL . 25.5 m -64.67 -24.86 67.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.544 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 175' ' ' ILE . . . . . 0.43 HG23 ' O ' ' A' ' 172' ' ' THR . 1.7 tt -85.79 -7.47 10.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.552 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 176' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -94.63 -59.99 1.81 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.624 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 3.2 m -62.21 -16.61 16.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.612 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 178' ' ' ALA . . . . . 0.64 ' O ' ' OG1' ' A' ' 182' ' ' THR . . . -95.54 -45.96 6.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.583 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -62.33 -26.11 67.53 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 180' ' ' VAL . . . . . 0.519 ' CG1' ' N ' ' A' ' 181' ' ' LEU . 13.8 p -86.3 -51.7 12.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.764 0.316 . . . . 0.0 110.515 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . 0.519 ' N ' ' CG1' ' A' ' 180' ' ' VAL . 43.9 tp -69.4 -47.88 62.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.592 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 182' ' ' THR . . . . . 0.64 ' OG1' ' O ' ' A' ' 178' ' ' ALA . 25.2 m -50.54 -51.38 48.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.581 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -47.35 -45.7 25.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.574 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 184' ' ' SER . . . . . . . . . . . . . 27.2 t -54.44 -37.89 65.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.587 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 61.1 mt -77.52 -21.81 52.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.609 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 20.8 m -73.24 -44.81 58.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.612 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 187' ' ' ILE . . . . . 0.507 ' O ' ' C ' ' A' ' 188' ' ' TRP . 12.2 tt -73.7 -51.54 24.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.604 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 188' ' ' TRP . . . . . 0.507 ' C ' ' O ' ' A' ' 187' ' ' ILE . 0.2 OUTLIER -30.87 -56.91 0.22 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.54 -179.952 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 7.9 mmtt -175.7 128.27 0.25 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.567 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 190' ' ' LYS . . . . . . . . . . . . . 34.9 pttt -109.81 89.47 3.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.625 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 191' ' ' MET . . . . . . . . . . . . . 83.5 mtp -128.54 136.59 50.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.578 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.726 0 CA-C-O 117.988 -1.451 . . . . 0.0 110.922 -179.985 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 130' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 131' ' ' GLU . . . . . 0.954 ' OE2' ' SD ' ' A' ' 74' ' ' MET . 90.6 mt-10 -57.83 -56.48 21.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.571 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 132' ' ' ALA . . . . . 0.58 ' O ' ' N ' ' B' ' 134' ' ' LYS . . . -156.37 -90.04 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.585 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 133' ' ' LEU . . . . . 0.581 ' CD1' ' N ' ' B' ' 133' ' ' LEU . 6.9 mp 51.11 -82.14 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.552 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 134' ' ' LYS . . . . . 0.58 ' N ' ' O ' ' B' ' 132' ' ' ALA . 36.5 ttmt -55.28 -49.28 72.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.58 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 135' ' ' LYS . . . . . 0.556 ' NZ ' ' O ' ' B' ' 131' ' ' GLU . 22.5 pttp -96.45 152.83 18.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.611 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 136' ' ' ALA . . . . . . . . . . . . . . . -147.85 -146.19 0.19 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.523 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 137' ' ' LEU . . . . . 0.484 ' CD1' ' N ' ' B' ' 137' ' ' LEU . 9.6 mp -96.04 124.58 40.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.577 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 138' ' ' ARG . . . . . 0.542 ' O ' ' HB2' ' B' ' 142' ' ' PHE . 84.7 mtp180 -85.23 -14.02 48.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.544 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 139' ' ' ARG . . . . . 0.447 ' O ' ' HB2' ' B' ' 143' ' ' LEU . 79.7 mtp180 -61.32 -42.36 98.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.563 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 140' ' ' HIS . . . . . 0.739 ' O ' ' N ' ' B' ' 143' ' ' LEU . 63.5 t-80 -81.29 -67.52 0.77 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.444 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 141' ' ' ARG . . . . . 0.461 ' C ' ' O ' ' B' ' 140' ' ' HIS . 71.1 ttt180 -33.63 -29.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.427 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 142' ' ' PHE . . . . . 0.602 ' N ' ' O ' ' B' ' 140' ' ' HIS . 14.7 m-85 -94.45 -27.48 15.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.519 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 143' ' ' LEU . . . . . 0.739 ' N ' ' O ' ' B' ' 140' ' ' HIS . 2.1 tt -62.46 -30.76 71.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.457 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 144' ' ' TRP . . . . . 0.427 ' O ' ' C ' ' B' ' 145' ' ' GLN . 65.6 t-105 -90.66 -52.5 4.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.577 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 145' ' ' GLN . . . . . 0.553 ' O ' ' O ' ' B' ' 146' ' ' ARG . 49.9 tt0 -36.55 -67.49 0.17 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.543 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 146' ' ' ARG . . . . . 0.553 ' O ' ' O ' ' B' ' 145' ' ' GLN . 89.3 mtm180 34.78 -160.11 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.604 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 147' ' ' ARG . . . . . . . . . . . . . 12.9 tpp180 -73.6 132.32 42.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.617 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 148' ' ' GLN . . . . . . . . . . . . . 87.4 mt-30 -50.53 141.94 11.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.535 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 149' ' ' ARG . . . . . 0.417 ' O ' ' O ' ' B' ' 150' ' ' ALA . 70.3 ttt180 52.34 74.94 0.25 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.611 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 150' ' ' ALA . . . . . 0.417 ' O ' ' O ' ' B' ' 149' ' ' ARG . . . . . . . . 0 C--O 1.22 -0.492 0 CA-C-O 118.025 -0.988 . . . . 0.0 110.542 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.41 ' H2 ' ' H ' ' A' ' 2' ' ' ASP . 9.3 ptt? . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 1.038 ' OD1' ' N ' ' A' ' 3' ' ' GLY . 52.2 p-10 -51.93 -64.32 0.85 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.585 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 1.038 ' N ' ' OD1' ' A' ' 2' ' ' ASP . . . 95.27 -50.18 1.89 Allowed Glycine 0 CA--C 1.526 0.746 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.1 m -163.68 -31.71 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.751 0.31 . . . . 0.0 110.562 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -163.66 -118.63 0.45 Allowed Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.784 ' O ' ' CB ' ' A' ' 7' ' ' GLN . 5.0 tp10 -137.79 105.03 5.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.808 0.337 . . . . 0.0 110.668 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.784 ' CB ' ' O ' ' A' ' 6' ' ' GLU . 7.7 tp-100 109.99 40.78 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.589 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.742 ' O ' ' O ' ' A' ' 9' ' ' ARG . 55.5 Cg_endo -73.5 75.89 2.88 Favored 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.732 2.288 . . . . 0.0 112.123 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.742 ' O ' ' O ' ' A' ' 8' ' ' PRO . 37.3 mtp180 -29.7 162.8 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.622 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.478 ' O ' ' C ' ' A' ' 11' ' ' GLY . . . -158.61 95.23 0.14 Allowed Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.478 ' C ' ' O ' ' A' ' 10' ' ' GLY . . . -33.09 118.29 0.17 Allowed Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.692 ' N ' ' HD3' ' A' ' 13' ' ' PRO . . . 85.07 41.13 7.67 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.692 ' HD3' ' N ' ' A' ' 12' ' ' GLY . 57.2 Cg_exo -46.53 -81.41 0.02 OUTLIER 'Trans proline' 0 C--N 1.306 -1.685 0 C-N-CA 122.819 2.346 . . . . 0.0 112.032 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.644 ' C ' ' O ' ' A' ' 13' ' ' PRO . 32.3 p -15.6 101.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.58 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 1.053 ' O ' HD11 ' A' ' 19' ' ' ILE . 11.2 p -132.12 -151.21 0.45 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.601 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.44 ' H ' ' HB2' ' A' ' 15' ' ' SER . 20.6 m -95.87 -9.03 32.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.629 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -86.39 -49.78 7.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.642 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 98.3 mm-40 -66.16 -23.62 66.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.569 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 1.053 HD11 ' O ' ' A' ' 15' ' ' SER . 70.4 mt -81.76 -55.02 8.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.521 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 52.4 ttp -53.67 -36.33 62.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.46 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -67.54 -45.92 74.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.481 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 40.3 p -72.49 -7.77 51.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.591 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -79.9 -53.98 4.05 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.21 -9.33 59.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.837 0.351 . . . . 0.0 110.512 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.547 ' O ' ' C ' ' A' ' 26' ' ' LEU . 2.1 mm? -86.72 -80.68 0.24 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.529 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.547 ' C ' ' O ' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -26.99 -65.53 0.07 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.624 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.415 ' C ' ' N ' ' A' ' 29' ' ' GLY . 10.8 mp -51.39 -57.75 8.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.558 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.521 ' NE2' ' C ' ' A' ' 28' ' ' GLN . 0.0 OUTLIER -47.58 -18.04 0.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.582 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.539 ' O ' ' N ' ' A' ' 31' ' ' ILE . . . -88.64 -72.67 1.28 Allowed Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 44.8 t80 -42.23 -18.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.804 0.335 . . . . 0.0 110.598 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.539 ' N ' ' O ' ' A' ' 29' ' ' GLY . 73.1 mt -77.02 -69.1 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.568 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.86 29.77 0.2 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.636 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.452 ' H ' ' C ' ' A' ' 31' ' ' ILE . 68.3 t0 -112.7 -51.32 2.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.52 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 -90.95 -27.29 18.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.524 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -98.81 -12.8 20.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.606 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -87.61 2.98 86.42 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 84.5 mtp180 -59.58 -42.09 91.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.822 0.344 . . . . 0.0 110.59 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 9.6 ptt? -81.41 134.0 35.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.557 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 56.93 -136.61 50.12 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.432 ' O ' ' HG3' ' A' ' 43' ' ' PRO . . . 148.33 -20.65 1.36 Allowed Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 41.8 tp10 -73.84 134.4 43.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.801 0.334 . . . . 0.0 110.639 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.611 ' N ' ' HD3' ' A' ' 43' ' ' PRO . . . 56.27 50.11 4.91 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.525 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.611 ' HD3' ' N ' ' A' ' 42' ' ' ALA . 51.9 Cg_exo -47.79 153.74 2.29 Favored 'Trans proline' 0 C--N 1.305 -1.731 0 C-N-CA 122.842 2.362 . . . . 0.0 112.126 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 70.9 mt-10 -93.25 -9.81 37.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.564 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.432 ' O ' HD11 ' A' ' 45' ' ' LEU . 0.2 OUTLIER -103.53 66.1 0.86 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.53 -179.934 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -74.05 138.39 44.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.594 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 28.0 tp -170.97 -85.19 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.536 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.646 ' O ' HG12 ' A' ' 50' ' ' VAL . 22.0 m-20 -162.07 49.96 0.27 Allowed Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.542 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.586 ' HD3' ' N ' ' A' ' 48' ' ' ASP . 63.5 Cg_exo -46.15 87.34 0.02 OUTLIER 'Trans proline' 0 C--N 1.306 -1.708 0 C-N-CA 122.833 2.356 . . . . 0.0 112.167 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.709 ' O ' HG11 ' A' ' 50' ' ' VAL . 10.9 p -178.3 74.43 0.22 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.582 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -75.69 116.28 4.41 Favored 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 122.777 2.318 . . . . 0.0 112.06 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.407 ' HG3' ' N ' ' A' ' 53' ' ' ASP . 14.1 pt20 -89.64 -46.1 8.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.541 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.407 ' N ' ' HG3' ' A' ' 52' ' ' GLN . 87.7 m-20 -82.33 138.3 34.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.523 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -85.23 -3.14 58.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.567 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 72.6 p -56.65 -40.24 75.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.597 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 72.8 p -80.27 -33.75 37.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.578 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -51.06 -54.4 25.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.566 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 30.7 ttpt -60.42 -47.48 85.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.454 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.11 -26.44 68.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.568 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.6 t -71.38 -35.41 71.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.491 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -63.7 -31.83 73.12 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.589 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 97.6 m -64.19 -37.88 89.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.547 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.401 ' N ' ' CD1' ' A' ' 63' ' ' LEU . 9.9 mp -75.29 -24.77 57.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.534 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -84.2 -36.69 22.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.595 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.436 ' O ' ' OE2' ' A' ' 69' ' ' GLU . 99.5 mtt180 -68.46 -44.51 74.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.571 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 20.7 tt -76.47 -35.09 25.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.507 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.425 ' O ' ' CB ' ' A' ' 71' ' ' ASP . . . -60.97 -45.48 96.5 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 48.1 t0 -62.7 -34.28 76.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.793 0.33 . . . . 0.0 110.621 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.539 ' OE1' ' N ' ' A' ' 69' ' ' GLU . 0.3 OUTLIER -79.69 -58.41 3.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.598 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.19 -43.05 74.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.579 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.425 ' CB ' ' O ' ' A' ' 67' ' ' GLY . 38.5 t70 -65.05 -8.8 17.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.558 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.3 t -96.35 7.02 47.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.557 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -92.97 111.5 23.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.547 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 1.26 ' HE1' ' OE2' ' B' ' 131' ' ' GLU . 96.0 mmm -68.31 -11.12 58.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.59 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -80.52 -67.16 0.8 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.569 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 7.3 tp -59.9 -40.26 88.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.544 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.597 HE22 ' NZ ' ' A' ' 119' ' ' LYS . 68.0 tp60 -61.74 -37.97 86.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.55 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 -68.56 -44.94 73.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.552 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 73.4 mtp -54.42 -43.99 72.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.545 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.513 ' O ' HG12 ' A' ' 83' ' ' VAL . 83.1 mt -62.33 -23.71 32.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.613 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -85.99 -18.77 31.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.562 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -86.49 -15.3 40.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.552 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.614 ' O ' ' CG1' ' A' ' 83' ' ' VAL . 8.0 p -89.57 82.64 2.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.586 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.426 ' O ' ' O ' ' A' ' 83' ' ' VAL . 56.1 p-10 -40.49 162.3 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.575 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 63.7 p -119.53 119.45 33.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.593 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -148.34 -0.17 0.58 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.467 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.427 ' O ' HG11 ' A' ' 91' ' ' VAL . 46.8 t -175.9 88.91 0.28 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.516 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.488 ' O ' ' CB ' ' A' ' 92' ' ' PHE . 37.9 Cg_endo -69.61 -14.93 37.3 Favored 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.791 2.327 . . . . 0.0 112.08 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 17.4 ptt-85 -86.81 -33.61 19.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.486 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -79.98 -57.22 3.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.495 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.471 ' CG1' ' N ' ' A' ' 92' ' ' PHE . 9.6 p -57.94 -50.87 76.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.5 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.488 ' CB ' ' O ' ' A' ' 88' ' ' PRO . 85.5 t80 -46.34 -51.93 13.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.578 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -68.14 -30.35 69.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.515 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 15.9 tpp180 -71.62 -57.85 4.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.542 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.443 ' CG2' ' N ' ' A' ' 96' ' ' ALA . 27.8 m -59.48 -48.0 88.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.471 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.443 ' N ' ' CG2' ' A' ' 95' ' ' VAL . . . -55.22 -27.63 47.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.552 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -81.88 -38.9 24.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.494 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 99' ' ' MET . 92.5 m-20 -63.27 -38.56 91.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.514 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' MET . . . . . 0.506 ' HB2' HH21 ' A' ' 109' ' ' ARG . 64.0 mtt -38.45 -68.81 0.14 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.532 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.6 ' CD2' ' O ' ' A' ' 100' ' ' PHE . 17.2 p90 -111.31 57.44 0.63 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.544 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.2 t -74.62 -26.9 60.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.537 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . 0.533 ' O ' ' C ' ' A' ' 103' ' ' GLY . 55.9 p-10 -155.53 -18.36 0.11 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.504 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.533 ' C ' ' O ' ' A' ' 102' ' ' ASP . . . -26.38 -80.72 0.01 OUTLIER Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . 0.607 ' O ' ' CG ' ' A' ' 105' ' ' PHE . 10.3 m-20 174.57 34.33 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.766 0.317 . . . . 0.0 110.614 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.607 ' CG ' ' O ' ' A' ' 104' ' ' ASN . 30.6 p90 42.7 29.04 0.14 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.574 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.539 ' CG ' ' H ' ' A' ' 107' ' ' TRP . 27.9 p30 -52.13 -110.46 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.598 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' TRP . . . . . 0.539 ' H ' ' CG ' ' A' ' 106' ' ' ASN . 6.6 t90 174.7 -26.21 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.599 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . 0.44 ' O ' HG13 ' A' ' 111' ' ' VAL . . . -50.07 -42.07 39.07 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . 0.506 HH21 ' HB2' ' A' ' 99' ' ' MET . 0.0 OUTLIER -48.14 -26.18 1.78 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.869 0.366 . . . . 0.0 110.584 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.476 ' N ' ' HD3' ' A' ' 109' ' ' ARG . 33.8 t -52.5 -57.9 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.57 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.553 ' CG1' ' N ' ' A' ' 112' ' ' ALA . 4.8 p -45.22 -46.81 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.521 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.553 ' N ' ' CG1' ' A' ' 111' ' ' VAL . . . -57.94 -35.35 70.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.551 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 1.8 tt -56.69 -46.89 80.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.525 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.445 ' CZ ' ' CG1' ' A' ' 110' ' ' VAL . 9.9 m-85 -56.97 -44.19 82.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.559 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 93.4 t80 -68.04 -43.7 78.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.522 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 93.3 t80 -58.94 -41.9 88.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.538 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -70.93 -32.51 69.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.575 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 5.1 t -48.67 -44.42 37.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.507 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.819 ' O ' ' CB ' ' A' ' 123' ' ' LYS . 58.0 mmtt -59.65 -43.63 93.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.558 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 53.3 mt -68.13 -31.31 70.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.551 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.414 ' O ' ' CD1' ' A' ' 133' ' ' ILE . 59.3 t -77.09 -53.45 14.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.564 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 69.0 mt -73.08 -40.5 64.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.674 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.819 ' CB ' ' O ' ' A' ' 119' ' ' LYS . 88.7 tttt -58.35 -40.86 83.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.609 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.509 ' O ' ' OG1' ' A' ' 127' ' ' THR . . . -76.29 -20.98 56.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.561 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 5.0 tt -64.01 -31.0 72.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.598 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 1.7 t -85.01 -34.44 22.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.527 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' THR . . . . . 0.792 ' O ' ' HB2' ' A' ' 128' ' ' LYS . 32.9 p -54.25 -18.76 4.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.525 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.792 ' HB2' ' O ' ' A' ' 127' ' ' THR . 27.5 mmtp 88.13 43.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.58 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . 0.49 ' CG2' ' OG1' ' A' ' 127' ' ' THR . 0.3 OUTLIER -147.48 90.7 5.18 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.578 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -72.79 -13.15 26.78 Favored 'Trans proline' 0 C--N 1.304 -1.767 0 C-N-CA 122.807 2.338 . . . . 0.0 112.009 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -65.69 -40.78 92.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.485 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 8.5 mp -61.12 -33.76 73.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.559 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . 0.414 ' CD1' ' O ' ' A' ' 121' ' ' VAL . 21.7 mm -57.07 -49.91 78.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.504 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 90.0 mtm180 -69.2 -34.72 75.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.529 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 7.3 m -67.51 -31.84 72.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.491 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 45.4 mt -69.8 -58.71 4.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.576 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' MET . . . . . 0.43 ' O ' ' OG1' ' A' ' 140' ' ' THR . 85.8 mtp -46.51 -25.52 0.7 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.559 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -68.71 -40.45 85.48 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' TRP . . . . . 0.509 ' CD1' ' N ' ' A' ' 139' ' ' TRP . 12.6 m0 -66.33 -24.42 66.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.806 0.336 . . . . 0.0 110.531 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' THR . . . . . 0.469 ' OG1' ' N ' ' A' ' 141' ' ' LEU . 22.8 p -75.51 -65.94 0.83 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.524 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . 0.469 ' N ' ' OG1' ' A' ' 140' ' ' THR . 50.8 mt -51.76 -33.55 35.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.576 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -65.79 -51.03 62.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.559 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . 0.435 ' O ' ' HB2' ' A' ' 147' ' ' ARG . 5.7 t80 -66.86 -38.91 87.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.517 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 1.8 tp -71.09 -35.49 71.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.558 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 58.2 ttp180 -83.05 -10.59 58.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.554 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -112.0 -4.75 14.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.603 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . 1.152 ' O ' ' N ' ' A' ' 149' ' ' LEU . 12.2 mtp180 -142.11 -110.84 0.13 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.546 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . 0.697 ' O ' ' N ' ' A' ' 152' ' ' ILE . 1.0 OUTLIER -15.39 -27.76 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.567 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . 1.152 ' N ' ' O ' ' A' ' 147' ' ' ARG . 43.7 tp -49.06 -56.37 9.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.583 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -63.91 -50.59 59.95 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 151' ' ' TRP . . . . . . . . . . . . . 99.3 m95 -66.25 -55.91 13.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.83 0.348 . . . . 0.0 110.541 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 152' ' ' ILE . . . . . 0.697 ' N ' ' O ' ' A' ' 148' ' ' LEU . 10.5 tt -51.28 -34.34 14.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.553 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . 0.403 ' N ' HG22 ' A' ' 152' ' ' ILE . 46.5 tt0 -67.49 -31.16 71.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.597 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -89.09 -4.67 58.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.62 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -97.38 0.76 48.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.584 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 83.75 24.64 48.93 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 89.77 -160.4 28.77 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 158' ' ' TRP . . . . . 0.416 ' HE1' HG23 ' A' ' 19' ' ' ILE . 32.4 m95 -73.86 -5.68 42.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.851 0.358 . . . . 0.0 110.57 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -60.89 -42.43 97.99 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.586 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -54.39 -32.26 51.94 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 2.1 tt -62.86 -54.05 44.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.878 0.37 . . . . 0.0 110.597 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 58.6 tp -66.99 -31.23 71.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.545 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 5.3 t -66.65 -26.51 67.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.54 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 164' ' ' TYR . . . . . 0.422 ' C ' ' H ' ' A' ' 166' ' ' GLY . 93.5 t80 -76.25 -42.82 44.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.55 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -71.66 47.95 0.14 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.542 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 166' ' ' GLY . . . . . 0.422 ' H ' ' C ' ' A' ' 164' ' ' TYR . . . -130.69 38.79 1.89 Allowed Glycine 0 CA--C 1.526 0.74 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 167' ' ' THR . . . . . 1.094 ' OG1' ' HD2' ' A' ' 168' ' ' PRO . 0.6 OUTLIER -108.28 -178.84 0.61 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 120.846 0.355 . . . . 0.0 110.609 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 168' ' ' PRO . . . . . 1.094 ' HD2' ' OG1' ' A' ' 167' ' ' THR . 56.9 Cg_endo -74.83 -146.77 0.03 OUTLIER 'Trans proline' 0 C--N 1.304 -1.782 0 C-N-CA 122.875 2.384 . . . . 0.0 112.227 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 169' ' ' THR . . . . . 0.601 ' C ' ' O ' ' A' ' 168' ' ' PRO . 29.3 p -21.64 100.31 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.546 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 170' ' ' TRP . . . . . 0.617 ' O ' HG23 ' A' ' 173' ' ' VAL . 34.0 p90 -64.14 -18.58 64.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.566 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 171' ' ' GLN . . . . . 0.51 ' NE2' ' OG1' ' A' ' 172' ' ' THR . 5.3 pp0? -47.35 -13.97 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.571 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 172' ' ' THR . . . . . 0.51 ' OG1' ' NE2' ' A' ' 171' ' ' GLN . 5.0 m -87.14 -29.56 21.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.507 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 173' ' ' VAL . . . . . 0.617 HG23 ' O ' ' A' ' 170' ' ' TRP . 2.0 m -71.96 -45.73 62.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.593 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 174' ' ' THR . . . . . 0.566 ' N ' ' CG2' ' A' ' 173' ' ' VAL . 24.9 m -64.51 -24.94 67.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.55 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 175' ' ' ILE . . . . . 0.424 HG23 ' O ' ' A' ' 172' ' ' THR . 1.7 tt -85.81 -7.5 10.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.585 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 176' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -94.67 -60.07 1.79 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.548 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 3.2 m -62.09 -16.66 16.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.59 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 178' ' ' ALA . . . . . 0.633 ' O ' ' OG1' ' A' ' 182' ' ' THR . . . -95.57 -45.87 6.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.516 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -62.4 -26.15 67.71 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 180' ' ' VAL . . . . . 0.519 ' CG1' ' N ' ' A' ' 181' ' ' LEU . 13.7 p -86.25 -51.71 12.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.796 0.331 . . . . 0.0 110.574 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . 0.519 ' N ' ' CG1' ' A' ' 180' ' ' VAL . 41.1 tp -69.21 -48.08 63.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.595 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 182' ' ' THR . . . . . 0.633 ' OG1' ' O ' ' A' ' 178' ' ' ALA . 25.8 m -50.5 -51.32 48.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.588 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -47.4 -45.66 25.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.587 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 184' ' ' SER . . . . . . . . . . . . . 27.7 t -54.57 -37.87 65.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.526 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 61.5 mt -77.64 -21.65 51.91 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.586 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 21.0 m -73.28 -44.86 58.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.548 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 187' ' ' ILE . . . . . 0.504 ' O ' ' C ' ' A' ' 188' ' ' TRP . 12.4 tt -73.71 -51.52 24.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.636 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 188' ' ' TRP . . . . . 0.504 ' C ' ' O ' ' A' ' 187' ' ' ILE . 0.1 OUTLIER -30.81 -56.82 0.22 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.642 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 8.0 mmtt -175.83 128.18 0.24 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.589 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 190' ' ' LYS . . . . . . . . . . . . . 13.1 ptpt -109.77 89.53 3.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.597 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 191' ' ' MET . . . . . . . . . . . . . 83.1 mtp -128.6 136.54 50.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.527 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.779 0 CA-C-O 117.983 -1.454 . . . . 0.0 110.985 179.943 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 130' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 131' ' ' GLU . . . . . 1.26 ' OE2' ' HE1' ' A' ' 74' ' ' MET . 90.6 mt-10 -57.78 -56.52 20.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.533 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 132' ' ' ALA . . . . . 0.581 ' O ' ' N ' ' B' ' 134' ' ' LYS . . . -156.35 -90.18 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.565 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 133' ' ' LEU . . . . . 0.579 ' CD1' ' N ' ' B' ' 133' ' ' LEU . 6.9 mp 51.21 -82.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.487 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 134' ' ' LYS . . . . . 0.581 ' N ' ' O ' ' B' ' 132' ' ' ALA . 36.6 ttmt -55.37 -49.25 72.79 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.486 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 135' ' ' LYS . . . . . 0.555 ' NZ ' ' O ' ' B' ' 131' ' ' GLU . 22.5 pttp -96.49 152.92 18.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.571 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 136' ' ' ALA . . . . . . . . . . . . . . . -147.99 -146.2 0.19 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.478 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 137' ' ' LEU . . . . . 0.487 ' CD1' ' N ' ' B' ' 137' ' ' LEU . 9.5 mp -96.14 125.04 40.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.55 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 138' ' ' ARG . . . . . 0.571 ' O ' ' HB2' ' B' ' 142' ' ' PHE . 84.3 mtp180 -85.81 -13.57 47.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.587 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 139' ' ' ARG . . . . . 0.464 ' O ' ' HB2' ' B' ' 143' ' ' LEU . 80.0 mtp180 -61.79 -41.66 98.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.514 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 140' ' ' HIS . . . . . 0.756 ' O ' ' N ' ' B' ' 143' ' ' LEU . 63.7 t-80 -82.07 -67.9 0.74 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.453 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 141' ' ' ARG . . . . . 0.465 ' C ' ' O ' ' B' ' 140' ' ' HIS . 70.7 ttt180 -33.4 -29.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.337 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 142' ' ' PHE . . . . . 0.62 ' N ' ' O ' ' B' ' 140' ' ' HIS . 14.0 m-85 -94.74 -27.59 15.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.419 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 143' ' ' LEU . . . . . 0.756 ' N ' ' O ' ' B' ' 140' ' ' HIS . 2.1 tt -62.58 -30.39 71.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.485 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 144' ' ' TRP . . . . . 0.428 ' O ' ' C ' ' B' ' 145' ' ' GLN . 65.9 t-105 -91.05 -52.5 4.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.567 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 145' ' ' GLN . . . . . 0.549 ' O ' ' O ' ' B' ' 146' ' ' ARG . 50.0 tt0 -36.45 -67.71 0.16 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.551 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 146' ' ' ARG . . . . . 0.549 ' O ' ' O ' ' B' ' 145' ' ' GLN . 89.4 mtm180 35.02 -160.25 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.572 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 147' ' ' ARG . . . . . . . . . . . . . 12.9 tpp180 -73.46 132.51 43.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.605 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 148' ' ' GLN . . . . . . . . . . . . . 87.4 mt-30 -50.67 141.95 11.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.527 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 149' ' ' ARG . . . . . 0.417 ' O ' ' O ' ' B' ' 150' ' ' ALA . 70.4 ttt180 52.22 74.98 0.24 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.633 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 150' ' ' ALA . . . . . 0.417 ' O ' ' O ' ' B' ' 149' ' ' ARG . . . . . . . . 0 C--O 1.221 -0.442 0 CA-C-O 118.004 -0.998 . . . . 0.0 110.586 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.418 ' H2 ' ' H ' ' A' ' 2' ' ' ASP . 10.3 ptt? . . . . . 0 N--CA 1.491 1.575 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 1.087 ' OD1' ' N ' ' A' ' 3' ' ' GLY . 51.7 p30 -53.19 -61.99 1.94 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.506 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 1.087 ' N ' ' OD1' ' A' ' 2' ' ' ASP . . . 95.1 -46.49 2.03 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 14.9 m -157.76 -40.11 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.83 0.348 . . . . 0.0 110.582 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -166.27 -130.05 1.11 Allowed Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.916 ' O ' ' HB3' ' A' ' 7' ' ' GLN . 4.4 tp10 -141.34 107.97 5.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.794 0.331 . . . . 0.0 110.674 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.916 ' HB3' ' O ' ' A' ' 6' ' ' GLU . 6.5 tp-100 102.23 50.55 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.606 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.935 ' O ' ' O ' ' A' ' 9' ' ' ARG . 60.6 Cg_exo -46.07 131.22 14.01 Favored 'Trans proline' 0 C--N 1.306 -1.676 0 C-N-CA 122.849 2.366 . . . . 0.0 112.144 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.935 ' O ' ' O ' ' A' ' 8' ' ' PRO . 19.1 mtp180 12.59 124.83 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.549 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.468 ' O ' ' C ' ' A' ' 11' ' ' GLY . . . -147.04 7.84 1.22 Allowed Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.468 ' C ' ' O ' ' A' ' 10' ' ' GLY . . . 33.55 44.05 0.28 Allowed Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -152.14 -72.74 0.01 OUTLIER Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 1.411 ' C ' ' H ' ' A' ' 15' ' ' SER . 54.3 Cg_exo -47.52 -50.15 11.94 Favored 'Trans proline' 0 C--N 1.304 -1.773 0 C-N-CA 122.825 2.35 . . . . 0.0 112.064 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 1.198 ' N ' ' H ' ' A' ' 15' ' ' SER . 35.7 p -47.42 21.87 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.584 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 1.482 ' N ' ' H ' ' A' ' 15' ' ' SER . 1.7 p 20.01 75.89 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.697 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 29.4 m -95.18 -18.59 20.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.541 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -92.78 -49.08 6.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.59 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -56.58 -33.65 66.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.64 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 1.122 HD11 ' O ' ' A' ' 15' ' ' SER . 64.8 mt -73.95 -50.35 29.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.602 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 48.4 ttp -58.06 -36.21 72.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.655 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.403 ' O ' ' HB2' ' A' ' 25' ' ' LEU . 96.6 mttt -68.17 -43.67 77.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.667 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 66.8 m -72.82 -14.26 61.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.611 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -74.2 -54.23 6.4 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.685 ' O ' ' CG ' ' A' ' 28' ' ' GLN . . . -77.17 -10.83 59.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.747 0.308 . . . . 0.0 110.571 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.533 ' O ' ' C ' ' A' ' 26' ' ' LEU . 1.9 mm? -86.22 -78.63 0.27 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.572 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.533 ' C ' ' O ' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -28.96 -64.59 0.1 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.534 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.417 ' O ' HG13 ' A' ' 31' ' ' ILE . 57.0 mt -52.33 -56.89 11.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.586 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.685 ' CG ' ' O ' ' A' ' 24' ' ' ALA . 64.2 mm-40 -48.43 -18.12 0.21 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.602 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.532 ' O ' ' N ' ' A' ' 31' ' ' ILE . . . -88.47 -72.47 1.28 Allowed Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 43.4 t80 -42.39 -18.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.805 0.336 . . . . 0.0 110.574 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.532 ' N ' ' O ' ' A' ' 29' ' ' GLY . 90.2 mt -76.97 -69.03 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.564 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.542 ' CG ' ' O ' ' A' ' 32' ' ' GLN . 4.9 tt0 -78.99 29.86 0.21 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.519 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.45 ' H ' ' C ' ' A' ' 31' ' ' ILE . 65.9 t0 -112.85 -51.05 2.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.561 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.4 ' NH2' ' OD2' ' A' ' 71' ' ' ASP . 15.9 ptm180 -91.23 -26.97 18.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.602 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -99.25 -12.77 20.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.56 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.427 ' O ' ' O ' ' A' ' 39' ' ' GLY . . . -63.75 -34.67 90.56 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 74.3 ttt180 -55.61 -23.25 26.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.729 0.299 . . . . 0.0 110.484 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 7.4 tpp -60.44 -41.14 93.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.562 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.427 ' O ' ' O ' ' A' ' 36' ' ' GLY . . . -162.68 168.39 37.54 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -147.52 -13.61 0.15 Allowed Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.964 -0.855 . . . . 0.0 110.964 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -88.26 3.72 48.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.87 0.367 . . . . 0.0 110.648 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.573 ' N ' ' HD3' ' A' ' 43' ' ' PRO . . . -148.54 55.35 2.07 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.552 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.573 ' HD3' ' N ' ' A' ' 42' ' ' ALA . 46.0 Cg_exo -51.83 110.84 0.48 Allowed 'Trans proline' 0 C--N 1.304 -1.807 0 C-N-CA 122.822 2.348 . . . . 0.0 112.06 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.503 ' CD ' ' O ' ' A' ' 42' ' ' ALA . 57.2 mp0 -90.11 -12.99 36.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.579 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.471 ' CD2' ' O ' ' A' ' 28' ' ' GLN . 32.0 tp -100.88 68.94 1.31 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.554 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.486 ' O ' ' CD1' ' A' ' 47' ' ' LEU . . . -77.57 140.56 39.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.608 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.486 ' CD1' ' O ' ' A' ' 46' ' ' ALA . 0.8 OUTLIER 170.14 -5.09 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.571 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.621 ' N ' ' HD3' ' A' ' 49' ' ' PRO . 56.1 m-20 58.43 52.69 4.83 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.591 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.621 ' HD3' ' N ' ' A' ' 48' ' ' ASP . 34.2 Cg_exo -53.37 -81.78 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.744 0 C-N-CA 122.781 2.321 . . . . 0.0 112.079 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.461 ' C ' ' O ' ' A' ' 49' ' ' PRO . 2.4 t 34.48 71.89 0.75 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.594 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -68.25 110.76 2.31 Favored 'Trans proline' 0 C--N 1.305 -1.724 0 C-N-CA 122.761 2.307 . . . . 0.0 112.079 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 63.8 mt-30 -63.3 -47.54 81.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.582 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -71.6 140.62 49.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.518 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -84.07 -2.84 57.46 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.618 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 10.4 t -56.74 -39.42 73.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.548 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 79.4 p -81.04 -33.84 33.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.603 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 30.0 ttpt -50.63 -54.71 20.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.538 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 30.3 ttpt -60.04 -47.56 85.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.661 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.5 mt -62.1 -26.44 68.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.541 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.7 t -71.16 -35.49 71.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.571 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 76.6 mt-10 -63.65 -31.91 73.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.539 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 94.5 m -64.24 -37.83 88.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.591 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 10.9 mp -75.23 -24.65 57.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.598 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -84.29 -36.65 22.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.503 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.441 ' O ' ' OE2' ' A' ' 69' ' ' GLU . 99.7 mtt180 -68.59 -44.42 74.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.575 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 19.0 tt -76.5 -35.04 25.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.599 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.426 ' O ' ' CB ' ' A' ' 71' ' ' ASP . . . -61.01 -45.42 96.65 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 44.0 t0 -62.7 -34.35 76.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.85 0.357 . . . . 0.0 110.61 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.526 ' OE1' ' N ' ' A' ' 69' ' ' GLU . 0.3 OUTLIER -79.53 -58.57 3.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.563 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 2.2 mt -55.18 -43.06 74.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.55 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.426 ' CB ' ' O ' ' A' ' 67' ' ' GLY . 52.8 t0 -65.09 -8.72 17.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.602 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.5 t -96.33 7.0 47.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.62 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -92.95 111.51 23.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.535 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 51.8 ttp -68.34 -11.13 59.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.552 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -80.39 -67.33 0.78 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.571 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 56.0 tp -59.79 -40.2 87.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.642 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 45.0 tt0 -61.83 -37.93 86.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.592 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 75.8 ttt180 -68.5 -44.86 73.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.65 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 54.8 mtt -54.56 -43.84 72.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.624 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.52 ' O ' HG12 ' A' ' 83' ' ' VAL . 82.5 mt -62.4 -23.8 33.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.573 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -85.89 -18.73 31.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.584 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -86.56 -15.19 40.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.6 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.617 ' O ' ' CG1' ' A' ' 83' ' ' VAL . 7.7 p -89.65 82.82 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.563 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 50.3 p-10 -41.54 161.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.546 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 79.4 m -118.72 121.95 41.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.598 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -150.7 0.27 0.41 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.46 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.403 ' O ' HG11 ' A' ' 91' ' ' VAL . 43.5 t -175.77 85.03 0.29 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.51 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.515 ' O ' ' CB ' ' A' ' 92' ' ' PHE . 28.6 Cg_endo -65.68 -17.13 56.02 Favored 'Trans proline' 0 C--N 1.305 -1.753 0 C-N-CA 122.781 2.321 . . . . 0.0 112.069 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 17.3 ptt-85 -84.63 -35.74 22.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.465 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -77.16 -58.61 3.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.52 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.482 ' CG1' ' N ' ' A' ' 92' ' ' PHE . 9.8 p -56.47 -51.94 58.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.553 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.515 ' CB ' ' O ' ' A' ' 88' ' ' PRO . 84.8 t80 -45.38 -52.95 9.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.479 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -67.19 -30.76 70.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.538 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 15.7 tpp180 -71.16 -58.27 3.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.482 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.445 ' CG2' ' N ' ' A' ' 96' ' ' ALA . 28.4 m -59.13 -48.23 87.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.553 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.445 ' N ' ' CG2' ' A' ' 95' ' ' VAL . . . -54.87 -27.75 45.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.542 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -81.82 -38.99 24.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.555 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 99' ' ' MET . 99.7 m-20 -63.02 -38.81 92.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.558 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' MET . . . . . 0.506 ' HB2' HH21 ' A' ' 109' ' ' ARG . 64.6 mtt -38.29 -68.92 0.14 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.548 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.608 ' CD2' ' O ' ' A' ' 100' ' ' PHE . 17.2 p90 -111.24 57.64 0.62 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.498 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.3 t -74.79 -26.77 59.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.571 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . 0.535 ' O ' ' C ' ' A' ' 103' ' ' GLY . 55.2 p-10 -155.63 -18.38 0.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.605 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.535 ' C ' ' O ' ' A' ' 102' ' ' ASP . . . -26.27 -80.75 0.01 OUTLIER Glycine 0 CA--C 1.524 0.594 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . 0.609 ' O ' ' CG ' ' A' ' 105' ' ' PHE . 9.1 m-20 174.57 34.31 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.725 0.298 . . . . 0.0 110.491 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.609 ' CG ' ' O ' ' A' ' 104' ' ' ASN . 31.0 p90 42.72 29.17 0.15 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.56 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.538 ' CG ' ' H ' ' A' ' 107' ' ' TRP . 26.9 p30 -52.2 -110.33 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.604 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' TRP . . . . . 0.538 ' H ' ' CG ' ' A' ' 106' ' ' ASN . 6.3 t90 174.47 -26.11 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.617 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . 0.443 ' O ' HG13 ' A' ' 111' ' ' VAL . . . -50.2 -42.07 40.16 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . 0.506 HH21 ' HB2' ' A' ' 99' ' ' MET . 0.0 OUTLIER -48.18 -25.99 1.72 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.818 0.342 . . . . 0.0 110.575 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.481 ' N ' ' HD3' ' A' ' 109' ' ' ARG . 37.2 t -52.69 -57.83 3.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.57 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.555 ' CG1' ' N ' ' A' ' 112' ' ' ALA . 4.9 p -45.27 -46.82 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.527 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.555 ' N ' ' CG1' ' A' ' 111' ' ' VAL . . . -58.04 -35.05 70.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.602 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.0 tt -56.89 -46.73 81.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.539 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.446 ' CZ ' ' CG1' ' A' ' 110' ' ' VAL . 10.0 m-85 -57.29 -43.93 83.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.544 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 92.0 t80 -68.23 -43.4 78.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.448 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 93.0 t80 -59.19 -41.87 89.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.552 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -71.08 -32.47 69.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.549 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 5.0 t -48.59 -44.16 36.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.516 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.817 ' O ' ' CB ' ' A' ' 123' ' ' LYS . 58.7 mmtt -60.13 -43.69 95.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.504 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 52.5 mt -68.03 -30.96 70.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.531 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.41 ' O ' ' CD1' ' A' ' 133' ' ' ILE . 58.5 t -77.39 -53.59 14.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.542 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 69.7 mt -72.74 -40.92 65.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.587 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.817 ' CB ' ' O ' ' A' ' 119' ' ' LYS . 88.8 tttt -58.08 -41.01 82.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.548 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.517 ' O ' ' OG1' ' A' ' 127' ' ' THR . . . -75.85 -21.57 57.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.488 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 43.1 tp -63.52 -31.84 73.12 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.593 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 5.7 t -83.65 -35.32 24.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.549 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' THR . . . . . 0.755 ' O ' ' HB2' ' A' ' 128' ' ' LYS . 35.5 p -54.07 -19.59 5.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.497 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.755 ' HB2' ' O ' ' A' ' 127' ' ' THR . 77.9 mttt 87.57 46.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.56 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . 0.491 ' CG2' ' OG1' ' A' ' 127' ' ' THR . 0.2 OUTLIER -148.9 85.97 5.86 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.543 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -67.66 -15.84 45.41 Favored 'Trans proline' 0 C--N 1.305 -1.761 0 C-N-CA 122.762 2.308 . . . . 0.0 112.037 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 46.7 tt0 -62.96 -42.71 99.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.469 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 8.6 mp -59.51 -34.41 72.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.502 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . 0.41 ' CD1' ' O ' ' A' ' 121' ' ' VAL . 22.2 mm -56.65 -50.35 74.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.548 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . 0.402 ' O ' ' HG2' ' A' ' 137' ' ' MET . 2.1 mpt_? -69.04 -34.84 75.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.464 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 8.9 m -67.07 -31.96 72.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.517 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 44.7 mt -69.72 -58.99 4.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.558 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' MET . . . . . 0.416 ' O ' ' OG1' ' A' ' 140' ' ' THR . 5.2 ptm -46.3 -25.52 0.64 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.542 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -68.57 -40.51 86.07 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' TRP . . . . . 0.503 ' CD1' ' N ' ' A' ' 139' ' ' TRP . 13.4 m0 -66.44 -24.31 66.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.833 0.349 . . . . 0.0 110.578 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' THR . . . . . 0.478 ' OG1' ' N ' ' A' ' 141' ' ' LEU . 20.7 p -75.59 -65.75 0.86 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.513 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . 0.478 ' N ' ' OG1' ' A' ' 140' ' ' THR . 53.0 mt -51.89 -33.62 37.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.508 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -65.64 -51.14 61.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.568 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . 0.449 ' O ' ' HB2' ' A' ' 147' ' ' ARG . 5.4 t80 -66.8 -38.89 87.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.53 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 1.8 tp -71.02 -35.58 72.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.563 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 58.9 ttp180 -82.96 -10.76 58.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.559 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -111.97 -4.64 14.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.589 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . 1.153 ' O ' ' N ' ' A' ' 149' ' ' LEU . 11.0 mtp180 -142.18 -110.91 0.13 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.536 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . 0.697 ' O ' ' N ' ' A' ' 152' ' ' ILE . 1.0 OUTLIER -15.27 -27.81 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.598 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . 1.153 ' N ' ' O ' ' A' ' 147' ' ' ARG . 60.7 tp -49.14 -56.32 9.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.554 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -63.9 -50.63 59.67 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 151' ' ' TRP . . . . . . . . . . . . . 99.0 m95 -66.23 -55.84 14.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.825 0.345 . . . . 0.0 110.541 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 152' ' ' ILE . . . . . 0.697 ' N ' ' O ' ' A' ' 148' ' ' LEU . 10.8 tt -51.37 -34.3 15.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.572 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . 0.402 ' N ' HG22 ' A' ' 152' ' ' ILE . 12.3 mt-30 -67.38 -31.39 71.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.56 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -89.0 -4.43 58.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.521 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -97.61 0.79 47.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.555 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 83.65 24.57 49.61 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 89.91 -160.33 28.55 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 158' ' ' TRP . . . . . 0.455 ' HE1' HG23 ' A' ' 19' ' ' ILE . 34.1 m95 -74.01 -5.56 42.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.803 0.335 . . . . 0.0 110.587 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 65.1 t0 -61.03 -42.32 98.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.588 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -54.56 -32.04 52.94 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 2.0 tt -63.07 -53.92 46.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.872 0.368 . . . . 0.0 110.565 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 56.9 tp -67.26 -30.86 70.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.592 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 22.0 t -67.11 -25.73 66.35 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.586 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 164' ' ' TYR . . . . . 0.419 ' C ' ' H ' ' A' ' 166' ' ' GLY . 93.2 t80 -77.24 -42.39 37.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.574 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -71.6 48.27 0.14 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.584 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 166' ' ' GLY . . . . . 0.419 ' H ' ' C ' ' A' ' 164' ' ' TYR . . . -131.57 39.58 1.75 Allowed Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 167' ' ' THR . . . . . 0.957 ' OG1' ' HD2' ' A' ' 168' ' ' PRO . 0.6 OUTLIER -108.98 177.55 1.23 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 120.867 0.365 . . . . 0.0 110.577 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 168' ' ' PRO . . . . . 0.957 ' HD2' ' OG1' ' A' ' 167' ' ' THR . 38.1 Cg_endo -69.64 -145.15 0.02 OUTLIER 'Trans proline' 0 C--N 1.304 -1.774 0 C-N-CA 122.808 2.339 . . . . 0.0 112.064 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 169' ' ' THR . . . . . 0.578 ' C ' ' O ' ' A' ' 168' ' ' PRO . 20.6 p -24.73 103.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.551 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 170' ' ' TRP . . . . . 0.61 ' O ' HG23 ' A' ' 173' ' ' VAL . 31.1 p90 -66.08 -18.61 65.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.571 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 171' ' ' GLN . . . . . 0.53 ' NE2' ' OG1' ' A' ' 172' ' ' THR . 5.4 pp0? -47.0 -14.29 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.479 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 172' ' ' THR . . . . . 0.53 ' OG1' ' NE2' ' A' ' 171' ' ' GLN . 5.0 m -86.85 -29.48 22.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.58 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 173' ' ' VAL . . . . . 0.61 HG23 ' O ' ' A' ' 170' ' ' TRP . 2.0 m -72.17 -45.56 61.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.619 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 174' ' ' THR . . . . . 0.567 ' N ' ' CG2' ' A' ' 173' ' ' VAL . 24.9 m -64.63 -24.97 67.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.557 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 175' ' ' ILE . . . . . 0.424 HG23 ' O ' ' A' ' 172' ' ' THR . 1.7 tt -85.72 -7.41 10.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.613 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 176' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -94.71 -60.09 1.78 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.497 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 3.1 m -62.13 -16.62 16.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.595 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 178' ' ' ALA . . . . . 0.626 ' O ' ' OG1' ' A' ' 182' ' ' THR . . . -95.57 -45.92 6.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.575 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -62.31 -26.18 67.56 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 180' ' ' VAL . . . . . 0.518 ' CG1' ' N ' ' A' ' 181' ' ' LEU . 13.6 p -86.23 -51.78 12.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.837 0.351 . . . . 0.0 110.586 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . 0.518 ' N ' ' CG1' ' A' ' 180' ' ' VAL . 42.0 tp -69.23 -47.98 63.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.614 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 182' ' ' THR . . . . . 0.626 ' OG1' ' O ' ' A' ' 178' ' ' ALA . 26.5 m -50.54 -51.41 48.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.552 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -47.33 -45.61 24.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.622 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 184' ' ' SER . . . . . . . . . . . . . 27.8 t -54.53 -37.85 65.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.552 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 58.4 mt -77.7 -21.72 51.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.517 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 20.5 m -73.22 -44.79 59.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.635 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 187' ' ' ILE . . . . . 0.505 ' O ' ' C ' ' A' ' 188' ' ' TRP . 12.2 tt -73.72 -51.67 23.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.556 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 188' ' ' TRP . . . . . 0.505 ' C ' ' O ' ' A' ' 187' ' ' ILE . 0.2 OUTLIER -30.66 -56.98 0.21 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.59 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 8.1 mmtt -175.78 128.25 0.24 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.559 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 190' ' ' LYS . . . . . . . . . . . . . 36.4 pttt -109.91 89.53 3.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.561 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 191' ' ' MET . . . . . . . . . . . . . 82.8 mtp -128.56 136.57 50.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.518 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.819 0 CA-C-O 118.036 -1.424 . . . . 0.0 110.888 179.962 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 130' ' ' CYS . . . . . 0.748 ' SG ' ' HG3' ' B' ' 131' ' ' GLU . 0.5 OUTLIER . . . . . 0 N--CA 1.491 1.602 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 131' ' ' GLU . . . . . 0.748 ' HG3' ' SG ' ' B' ' 130' ' ' CYS . 84.1 mt-10 -131.66 166.01 22.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.543 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 132' ' ' ALA . . . . . 0.594 ' O ' ' O ' ' B' ' 131' ' ' GLU . . . 51.83 120.86 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.532 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 133' ' ' LEU . . . . . 0.48 ' CD1' ' N ' ' B' ' 133' ' ' LEU . 8.8 mp -92.95 -5.46 50.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.59 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 134' ' ' LYS . . . . . . . . . . . . . 68.6 mttm 48.83 24.32 0.81 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.626 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 135' ' ' LYS . . . . . 0.582 ' HZ3' ' CD ' ' B' ' 139' ' ' ARG . 61.1 tttm -161.67 75.12 0.47 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.526 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 136' ' ' ALA . . . . . . . . . . . . . . . -172.45 9.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.55 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 76.2 mt -84.47 -81.08 0.19 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.566 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 138' ' ' ARG . . . . . . . . . . . . . 10.5 ptp85 -73.63 -24.64 60.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.542 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 139' ' ' ARG . . . . . 0.582 ' CD ' ' HZ3' ' B' ' 135' ' ' LYS . 75.7 ttt-85 -61.81 -43.12 99.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.581 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 140' ' ' HIS . . . . . 0.649 ' O ' ' N ' ' B' ' 143' ' ' LEU . 0.1 OUTLIER -79.56 -64.91 1.08 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.531 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 141' ' ' ARG . . . . . 0.508 ' N ' ' CG ' ' B' ' 140' ' ' HIS . 58.3 ttp180 -34.24 -32.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.511 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 142' ' ' PHE . . . . . 0.536 ' N ' ' O ' ' B' ' 140' ' ' HIS . 69.1 t80 -90.6 -33.06 16.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.559 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 143' ' ' LEU . . . . . 0.649 ' N ' ' O ' ' B' ' 140' ' ' HIS . 39.5 tp -54.78 -36.12 64.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.568 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 144' ' ' TRP . . . . . 0.501 ' O ' ' C ' ' B' ' 145' ' ' GLN . 45.3 t90 -84.36 -58.71 2.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.542 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 145' ' ' GLN . . . . . 0.586 ' O ' ' N ' ' B' ' 147' ' ' ARG . 57.0 tt0 -31.68 -68.85 0.08 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.614 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 146' ' ' ARG . . . . . . . . . . . . . 60.3 ttm-85 51.91 -81.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.57 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 147' ' ' ARG . . . . . 0.586 ' N ' ' O ' ' B' ' 145' ' ' GLN . 68.5 ttt180 -138.24 137.3 37.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.581 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 148' ' ' GLN . . . . . . . . . . . . . 26.2 mp0 -71.82 134.32 46.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.589 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 51.49 76.38 0.17 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.594 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 150' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.49 0 CA-C-O 118.0 -1.0 . . . . 0.0 110.565 -179.999 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.775 ' O ' HD12 ' A' ' 19' ' ' ILE . 94.2 p . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.815 0.341 . . . . 0.0 110.646 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.3 m -97.82 -17.22 19.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.591 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.44 ' HA ' ' OE1' ' A' ' 17' ' ' GLU . 47.1 mm-40 -63.73 -52.35 60.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.593 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.54 ' CD ' ' O ' ' A' ' 18' ' ' GLN . 3.4 tm0? -70.23 -20.45 63.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.565 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.775 HD12 ' O ' ' A' ' 15' ' ' SER . 87.2 mt -84.29 -56.08 6.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.541 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 46.4 ttp -52.19 -37.27 54.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.571 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.402 ' O ' HD23 ' A' ' 25' ' ' LEU . 40.7 tptt -66.51 -46.89 74.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.517 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.47 HG22 ' O ' ' A' ' 22' ' ' THR . 47.7 m -71.86 -7.09 46.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.517 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -80.18 -54.1 3.93 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.71 -8.71 58.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.809 0.338 . . . . 0.0 110.517 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.552 ' O ' ' C ' ' A' ' 26' ' ' LEU . 2.1 mm? -86.99 -81.03 0.23 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.566 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.552 ' C ' ' O ' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -26.57 -65.88 0.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.587 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.421 ' C ' ' N ' ' A' ' 29' ' ' GLY . 4.6 tp -51.15 -57.96 7.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.559 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.42 ' HA ' HD12 ' A' ' 31' ' ' ILE . 7.4 tp-100 -47.28 -18.04 0.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.54 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.542 ' O ' ' N ' ' A' ' 31' ' ' ILE . . . -88.68 -72.77 1.28 Allowed Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.961 -0.855 . . . . 0.0 110.961 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 42.0 t80 -42.15 -18.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.77 0.319 . . . . 0.0 110.544 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.542 ' N ' ' O ' ' A' ' 29' ' ' GLY . 84.7 mt -76.97 -69.26 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.605 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.459 ' OE1' ' HB2' ' A' ' 43' ' ' PRO . 9.3 tt0 -78.85 30.16 0.2 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.564 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.415 ' H ' ' C ' ' A' ' 31' ' ' ILE . 67.0 t0 -113.17 -50.92 2.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.536 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 -91.38 -26.92 18.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.534 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.471 ' CB ' HD22 ' A' ' 122' ' ' LEU . . . -99.31 -12.66 20.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.575 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.658 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 -179.976 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.459 ' HB2' ' OE1' ' A' ' 32' ' ' GLN . 35.1 Cg_endo . . . . . 0 N--CA 1.493 1.464 0 CA-C-O 120.856 0.273 . . . . 0.0 112.048 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -75.67 -15.13 60.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.65 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.863 HD22 ' N ' ' A' ' 45' ' ' LEU . 0.5 OUTLIER -93.6 64.28 3.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.609 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -83.49 131.79 34.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.579 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.583 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.453 ' OD1' ' O ' ' A' ' 53' ' ' ASP . 50.7 p-10 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.816 0.341 . . . . 0.0 110.609 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -83.84 -2.31 56.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.576 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 13.9 t -58.07 -39.78 79.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.546 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 77.0 p -81.83 -33.83 30.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.572 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 31.5 tptt -50.43 -54.76 19.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.566 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 30.6 ttpt -59.9 -47.74 84.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.576 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.64 ' O ' HD23 ' A' ' 59' ' ' LEU . 0.9 OUTLIER -61.98 -26.33 68.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.541 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.5 t -71.37 -35.35 71.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.579 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -63.81 -31.74 73.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.582 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 93.3 m -64.28 -37.8 88.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.556 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.461 ' N ' HD12 ' A' ' 63' ' ' LEU . 10.0 mp -75.36 -24.65 57.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.525 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.9 ttpm? -84.28 -36.63 22.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.58 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.441 ' O ' ' OE2' ' A' ' 69' ' ' GLU . 99.7 mtt180 -68.53 -44.43 74.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.573 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 19.1 tt -76.52 -35.02 25.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.571 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.426 ' O ' ' CB ' ' A' ' 71' ' ' ASP . . . -61.08 -45.36 96.73 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 57.5 t0 -62.76 -34.32 76.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.806 0.336 . . . . 0.0 110.56 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.536 ' OE1' ' N ' ' A' ' 69' ' ' GLU . 0.3 OUTLIER -79.64 -58.54 3.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.54 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.447 ' O ' ' OE1' ' A' ' 77' ' ' GLN . 2.3 mt -55.07 -43.13 73.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.596 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.426 ' CB ' ' O ' ' A' ' 67' ' ' GLY . 54.3 t0 -65.03 -8.79 17.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.539 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.2 t -96.4 7.09 47.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.578 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.448 ' O ' ' OE1' ' A' ' 77' ' ' GLN . 7.7 m120 -93.0 111.46 23.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.578 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 95.8 mmm -68.27 -11.23 59.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.571 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -80.4 -67.19 0.79 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.581 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 54.8 tp -59.88 -40.26 88.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.576 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.448 ' OE1' ' O ' ' A' ' 73' ' ' ASN . 1.2 mp0 -61.75 -37.92 86.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.604 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 75.1 ttt180 -68.54 -44.87 73.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.591 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.488 ' SD ' HG23 ' A' ' 182' ' ' THR . 74.2 mtp -54.57 -43.86 72.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.593 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.644 ' O ' HG12 ' A' ' 83' ' ' VAL . 86.1 mt -62.37 -23.8 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.552 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -85.96 -18.65 32.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.596 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -86.66 -15.11 40.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.604 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.875 ' O ' HG13 ' A' ' 83' ' ' VAL . 7.7 p -89.69 82.58 2.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.604 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 55.3 p-10 -41.06 161.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.516 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 86.9 m -118.94 121.18 39.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.657 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -149.82 0.15 0.47 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.49 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.657 ' O ' HG12 ' A' ' 91' ' ' VAL . 47.4 t -175.94 86.31 0.29 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.512 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.509 ' O ' ' CB ' ' A' ' 92' ' ' PHE . 31.6 Cg_endo -66.95 -16.51 49.87 Favored 'Trans proline' 0 C--N 1.305 -1.738 0 C-N-CA 122.779 2.319 . . . . 0.0 112.051 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 16.2 ptt-85 -85.15 -34.96 22.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.509 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -78.27 -58.11 3.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.505 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.66 HG13 ' N ' ' A' ' 92' ' ' PHE . 9.6 p -56.98 -51.54 67.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.526 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.66 ' N ' HG13 ' A' ' 91' ' ' VAL . 81.0 t80 -45.79 -52.54 11.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.489 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -67.49 -30.67 70.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.522 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 15.9 tpp180 -71.36 -58.11 3.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.492 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.624 HG23 ' N ' ' A' ' 96' ' ' ALA . 28.8 m -59.24 -48.1 88.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.556 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.624 ' N ' HG23 ' A' ' 95' ' ' VAL . . . -55.04 -27.69 46.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.542 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -81.9 -38.9 24.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.546 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 99' ' ' MET . 99.5 m-20 -63.14 -38.7 92.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.532 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' MET . . . . . 0.531 ' HB2' HH21 ' A' ' 109' ' ' ARG . 64.0 mtt -38.35 -68.95 0.13 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.537 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.601 ' CD2' ' O ' ' A' ' 100' ' ' PHE . 15.8 p90 -111.18 57.6 0.62 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.564 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.3 t -74.74 -26.8 60.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.571 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ASP . . . . . 0.535 ' O ' ' C ' ' A' ' 103' ' ' GLY . 54.6 p-10 -155.6 -18.3 0.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.536 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.535 ' C ' ' O ' ' A' ' 102' ' ' ASP . . . -26.37 -80.67 0.01 OUTLIER Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' ASN . . . . . 0.608 ' O ' ' CG ' ' A' ' 105' ' ' PHE . 28.1 t-20 174.5 34.42 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.804 0.335 . . . . 0.0 110.568 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.608 ' CG ' ' O ' ' A' ' 104' ' ' ASN . 32.0 p90 42.6 29.15 0.15 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.555 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.521 ' O ' ' HB2' ' A' ' 107' ' ' TRP . 28.5 p30 -52.2 -110.43 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.547 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' TRP . . . . . 0.543 ' NE1' HG21 ' A' ' 110' ' ' VAL . 6.7 t90 174.55 -26.15 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.561 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' GLY . . . . . 0.58 ' O ' HG12 ' A' ' 111' ' ' VAL . . . -50.18 -42.07 40.0 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' ARG . . . . . 0.531 HH21 ' HB2' ' A' ' 99' ' ' MET . 0.0 OUTLIER -48.14 -26.0 1.7 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.783 0.325 . . . . 0.0 110.582 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.543 HG21 ' NE1' ' A' ' 107' ' ' TRP . 36.6 t -52.68 -57.91 3.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.477 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.58 HG12 ' O ' ' A' ' 108' ' ' GLY . 4.5 p -45.24 -46.76 3.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.535 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.577 ' N ' HG13 ' A' ' 111' ' ' VAL . . . -58.12 -35.08 70.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.513 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.674 ' O ' HD23 ' A' ' 113' ' ' LEU . 2.2 tt -56.82 -46.76 81.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.541 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' PHE . . . . . 0.433 ' CZ ' ' CG1' ' A' ' 110' ' ' VAL . 10.3 m-85 -57.25 -44.02 83.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.546 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 92.0 t80 -68.05 -43.58 78.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.511 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.463 ' CE2' HG21 ' A' ' 95' ' ' VAL . 94.0 t80 -59.12 -41.85 89.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.535 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.497 ' O ' HG23 ' A' ' 121' ' ' VAL . . . -71.01 -32.49 69.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.551 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 5.1 t -48.65 -44.21 37.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.496 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.819 ' O ' ' CB ' ' A' ' 123' ' ' LYS . 56.4 mmtt -59.98 -43.63 94.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.536 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 51.1 mt -68.17 -30.9 70.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.557 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.722 HG13 HG23 ' A' ' 133' ' ' ILE . 60.4 t -77.4 -53.49 14.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.562 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.471 HD22 ' CB ' ' A' ' 35' ' ' ALA . 68.4 mt -73.13 -40.52 64.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.529 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.819 ' CB ' ' O ' ' A' ' 119' ' ' LYS . 89.1 tttt -58.37 -40.86 83.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.542 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.465 ' O ' ' OG1' ' A' ' 127' ' ' THR . . . -76.3 -20.54 57.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.574 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 35.6 tp -64.44 -30.55 71.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.568 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 126' ' ' CYS . . . . . 0.497 ' SG ' ' N ' ' A' ' 127' ' ' THR . 8.5 p -84.57 -35.78 22.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.569 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.559 ' O ' ' CB ' ' A' ' 128' ' ' LYS . 38.8 p -54.35 -17.04 2.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.586 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 128' ' ' LYS . . . . . 0.559 ' CB ' ' O ' ' A' ' 127' ' ' THR . 47.6 tttm 85.14 46.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.579 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 129' ' ' VAL . . . . . 0.529 ' CG2' ' OG1' ' A' ' 127' ' ' THR . 0.2 OUTLIER -148.37 86.91 5.79 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.57 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 130' ' ' PRO . . . . . 0.405 ' HA ' HG12 ' A' ' 133' ' ' ILE . 37.6 Cg_endo -69.22 -15.44 39.12 Favored 'Trans proline' 0 C--N 1.304 -1.77 0 C-N-CA 122.84 2.36 . . . . 0.0 112.066 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -63.57 -42.02 98.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.504 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 8.6 mp -60.09 -34.19 73.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.521 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.722 HG23 HG13 ' A' ' 121' ' ' VAL . 21.4 mm -56.91 -50.05 76.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.51 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 91.2 mtm-85 -69.28 -34.69 75.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.502 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 8.3 m -67.23 -32.01 72.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.494 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 136' ' ' ILE . . . . . 0.414 HG21 ' CG2' ' A' ' 121' ' ' VAL . 47.7 mt -69.68 -58.84 4.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.539 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 49.6 mtt -46.44 -25.58 0.69 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.523 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -68.56 -40.58 86.08 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 139' ' ' TRP . . . . . 0.51 ' CD1' ' N ' ' A' ' 139' ' ' TRP . 13.3 m0 -66.27 -24.52 66.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.804 0.335 . . . . 0.0 110.518 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 140' ' ' THR . . . . . 0.479 ' OG1' ' N ' ' A' ' 141' ' ' LEU . 20.1 p -75.5 -65.79 0.85 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.562 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 141' ' ' LEU . . . . . 0.479 ' N ' ' OG1' ' A' ' 140' ' ' THR . 4.1 tp -51.83 -33.59 36.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.527 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -65.8 -51.08 61.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.56 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 143' ' ' PHE . . . . . 0.451 ' O ' ' HB2' ' A' ' 147' ' ' ARG . 38.6 t80 -66.73 -38.9 87.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.604 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.569 HD12 ' HB2' ' A' ' 148' ' ' LEU . 1.7 tp -71.06 -35.52 71.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.562 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 59.8 ttp180 -83.03 -10.67 58.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.569 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -112.0 -4.55 14.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.607 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 147' ' ' ARG . . . . . 1.153 ' O ' ' N ' ' A' ' 149' ' ' LEU . 22.8 mmt180 -142.28 -110.85 0.13 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.555 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 148' ' ' LEU . . . . . 0.815 ' H ' HD22 ' A' ' 148' ' ' LEU . 1.0 OUTLIER -15.42 -27.72 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.57 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 149' ' ' LEU . . . . . 1.153 ' N ' ' O ' ' A' ' 147' ' ' ARG . 1.2 tt -49.18 -56.2 10.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.574 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -63.97 -50.55 60.03 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 151' ' ' TRP . . . . . . . . . . . . . 34.0 m95 -66.36 -55.79 14.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.827 0.346 . . . . 0.0 110.56 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 152' ' ' ILE . . . . . 0.697 ' N ' ' O ' ' A' ' 148' ' ' LEU . 8.2 tt -51.36 -34.24 14.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.553 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -67.54 -31.17 71.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.57 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -89.16 -4.54 58.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.591 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -97.53 0.78 48.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.566 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 83.68 24.63 49.26 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 89.83 -160.3 28.62 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 158' ' ' TRP . . . . . 0.661 ' CE2' HD11 ' A' ' 152' ' ' ILE . 99.2 m95 -73.94 -5.69 42.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.778 0.323 . . . . 0.0 110.569 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -60.84 -42.45 97.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.593 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -54.44 -32.13 52.18 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 161' ' ' LEU . . . . . 0.579 ' O ' HD23 ' A' ' 161' ' ' LEU . 2.1 tt -63.02 -53.99 45.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.838 0.351 . . . . 0.0 110.566 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 44.1 tp -67.14 -31.06 71.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.539 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 5.1 t -66.81 -26.1 66.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.614 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 91.1 t80 -76.9 -42.51 39.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.591 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -71.66 48.13 0.14 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.588 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -131.3 39.53 1.76 Allowed Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 167' ' ' THR . . . . . 0.995 ' OG1' ' HD2' ' A' ' 168' ' ' PRO . 0.6 OUTLIER -108.94 178.58 1.01 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 120.898 0.38 . . . . 0.0 110.537 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 168' ' ' PRO . . . . . 0.995 ' HD2' ' OG1' ' A' ' 167' ' ' THR . 43.0 Cg_endo -71.45 -145.69 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.727 0 C-N-CA 122.777 2.318 . . . . 0.0 112.092 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 169' ' ' THR . . . . . 0.589 ' C ' ' O ' ' A' ' 168' ' ' PRO . 7.1 p -23.39 102.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.532 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 170' ' ' TRP . . . . . 0.688 ' O ' HG22 ' A' ' 173' ' ' VAL . 33.1 p90 -65.45 -18.52 65.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.551 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 171' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.16 -14.35 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.581 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 172' ' ' THR . . . . . 0.513 ' O ' HG22 ' A' ' 175' ' ' ILE . 4.9 m -86.73 -29.56 22.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.574 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 173' ' ' VAL . . . . . 0.688 HG22 ' O ' ' A' ' 170' ' ' TRP . 2.0 m -72.1 -45.64 61.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.596 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 174' ' ' THR . . . . . 0.566 ' N ' ' CG2' ' A' ' 173' ' ' VAL . 24.7 m -64.59 -24.95 67.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.535 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 175' ' ' ILE . . . . . 0.513 HG22 ' O ' ' A' ' 172' ' ' THR . 1.6 tt -85.75 -7.53 10.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.573 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 176' ' ' PHE . . . . . 0.487 ' O ' HG12 ' A' ' 180' ' ' VAL . 64.1 t80 -94.65 -60.05 1.79 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.563 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 3.2 m -62.11 -16.71 16.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.582 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 178' ' ' ALA . . . . . 0.625 ' O ' ' OG1' ' A' ' 182' ' ' THR . . . -95.52 -45.91 6.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.599 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -62.3 -26.2 67.59 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 180' ' ' VAL . . . . . 0.698 HG13 ' N ' ' A' ' 181' ' ' LEU . 13.8 p -86.24 -51.74 12.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.802 0.334 . . . . 0.0 110.557 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 181' ' ' LEU . . . . . 0.698 ' N ' HG13 ' A' ' 180' ' ' VAL . 38.2 tp -69.31 -47.96 62.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.604 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 182' ' ' THR . . . . . 0.625 ' OG1' ' O ' ' A' ' 178' ' ' ALA . 25.3 m -50.48 -51.43 47.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.558 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -47.35 -45.72 24.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.564 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 184' ' ' SER . . . . . . . . . . . . . 29.4 t -54.45 -37.84 65.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.559 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 55.2 mt -77.71 -21.66 51.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.542 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 21.6 m -73.28 -44.88 58.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.576 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 187' ' ' ILE . . . . . 0.642 HG23 ' N ' ' A' ' 188' ' ' TRP . 12.9 tt -73.61 -51.71 23.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.579 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 188' ' ' TRP . . . . . 0.642 ' N ' HG23 ' A' ' 187' ' ' ILE . 0.2 OUTLIER -30.65 -56.96 0.21 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.589 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 7.6 mmtt -175.74 128.28 0.24 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.509 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 190' ' ' LYS . . . . . . . . . . . . . 14.6 ptmt -109.89 89.58 3.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.554 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 191' ' ' MET . . . . . . . . . . . . . 91.4 mtp -128.61 136.59 50.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.537 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.738 0 CA-C-O 118.03 -1.428 . . . . 0.0 110.932 -179.993 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.908 ' O ' HD12 ' A' ' 19' ' ' ILE . 1.1 p . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.748 0.309 . . . . 0.0 110.519 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.485 ' H ' ' HB2' ' A' ' 15' ' ' SER . 19.6 m -98.63 -12.75 20.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.568 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -84.19 -49.77 8.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.637 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.49 ' CD ' ' O ' ' A' ' 18' ' ' GLN . 3.5 tm0? -65.97 -22.8 66.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.508 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.908 HD12 ' O ' ' A' ' 15' ' ' SER . 90.6 mt -82.1 -55.85 7.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.433 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 51.0 ttp -52.59 -36.87 57.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.574 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 64.3 mmtt -66.85 -46.58 74.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.591 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.445 HG22 ' O ' ' A' ' 22' ' ' THR . 33.0 m -72.17 -7.24 48.06 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.512 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -80.08 -54.05 3.98 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.64 -8.81 59.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.736 0.303 . . . . 0.0 110.468 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.551 ' O ' ' C ' ' A' ' 26' ' ' LEU . 6.2 mt -86.93 -80.87 0.24 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.514 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.551 ' C ' ' O ' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -26.75 -65.93 0.07 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.596 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.419 ' C ' ' N ' ' A' ' 29' ' ' GLY . 5.6 tp -51.03 -57.93 7.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.542 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.506 ' HG2' HD21 ' A' ' 45' ' ' LEU . 8.1 tm0? -47.36 -18.12 0.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.617 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.539 ' O ' ' N ' ' A' ' 31' ' ' ILE . . . -88.56 -72.71 1.28 Allowed Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 42.7 t80 -42.23 -18.83 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.825 0.345 . . . . 0.0 110.568 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.539 ' N ' ' O ' ' A' ' 29' ' ' GLY . 88.8 mt -77.02 -69.16 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.557 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.517 ' CG ' ' O ' ' A' ' 32' ' ' GLN . 9.3 tt0 -79.0 30.04 0.21 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.57 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.414 ' H ' ' C ' ' A' ' 31' ' ' ILE . 66.4 t0 -112.94 -51.06 2.85 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.554 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 -91.17 -27.1 18.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.555 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.463 ' CB ' HD22 ' A' ' 122' ' ' LEU . . . -99.53 -12.63 19.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.576 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.661 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 -179.968 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.427 ' HB3' ' OE1' ' A' ' 32' ' ' GLN . 59.6 Cg_exo . . . . . 0 N--CA 1.49 1.318 0 CA-C-O 120.801 0.251 . . . . 0.0 112.132 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.425 ' OE1' ' N ' ' A' ' 44' ' ' GLU . 54.1 mp0 -95.64 -7.88 36.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.564 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.516 ' HG ' ' O ' ' A' ' 45' ' ' LEU . 50.5 tp -99.49 60.06 1.13 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.579 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.976 ' O ' HD23 ' A' ' 47' ' ' LEU . . . -63.18 148.52 47.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.494 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.976 HD23 ' O ' ' A' ' 46' ' ' ALA . 1.5 pp . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.549 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.444 ' OD2' ' OG ' ' A' ' 55' ' ' SER . 52.8 p-10 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.89 0.376 . . . . 0.0 110.515 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -82.03 -4.0 55.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.594 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.444 ' OG ' ' OD2' ' A' ' 53' ' ' ASP . 78.2 p -56.29 -40.23 73.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.568 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 75.5 p -81.36 -33.72 32.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.486 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.0 mmmt -51.08 -54.44 24.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.543 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 29.9 ttpt -60.2 -47.37 86.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.594 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.637 ' O ' HD23 ' A' ' 59' ' ' LEU . 0.9 OUTLIER -62.31 -26.3 68.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.576 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.3 t -71.39 -35.4 71.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.546 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 75.5 mt-10 -63.76 -31.72 72.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.543 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 91.8 m -64.32 -37.78 88.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.496 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.465 ' N ' HD12 ' A' ' 63' ' ' LEU . 10.5 mp -75.33 -24.75 57.44 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.515 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -84.35 -36.58 22.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.483 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.437 ' O ' ' OE2' ' A' ' 69' ' ' GLU . 99.8 mtt180 -68.55 -44.44 74.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.593 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 18.2 tt -76.47 -35.08 25.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.588 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.425 ' O ' ' CB ' ' A' ' 71' ' ' ASP . . . -60.98 -45.37 96.74 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.445 ' OD1' ' O ' ' A' ' 68' ' ' ASP . 68.4 t0 -62.74 -34.38 77.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.796 0.331 . . . . 0.0 110.61 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.552 ' OE1' ' N ' ' A' ' 69' ' ' GLU . 0.3 OUTLIER -79.62 -58.38 3.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.613 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.46 HD23 ' HA ' ' A' ' 70' ' ' LEU . 5.2 mt -55.14 -43.13 73.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.61 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.425 ' CB ' ' O ' ' A' ' 67' ' ' GLY . 38.9 t70 -65.01 -8.77 17.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.55 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.9 t -96.36 6.99 47.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.531 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.46 ' OD1' HD23 ' A' ' 70' ' ' LEU . 8.6 m120 -92.91 111.42 23.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.638 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 94.4 mmm -68.27 -11.17 58.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.563 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -80.39 -67.28 0.78 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.583 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 50.0 tp -59.81 -40.32 87.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.583 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 49.5 tt0 -61.71 -37.96 86.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.644 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 74.9 ttt180 -68.44 -44.94 73.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.576 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.488 ' SD ' HG23 ' A' ' 182' ' ' THR . 74.2 mtp -54.55 -43.89 72.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.621 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.644 ' O ' HG12 ' A' ' 83' ' ' VAL . 86.3 mt -62.39 -23.67 32.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.559 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -86.13 -18.55 32.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.557 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -86.53 -15.42 40.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.576 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.87 ' O ' HG13 ' A' ' 83' ' ' VAL . 8.0 p -89.4 82.71 2.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.527 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.424 ' O ' ' O ' ' A' ' 83' ' ' VAL . 54.3 p-10 -40.67 162.41 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.503 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 48.5 p -119.6 119.89 35.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.644 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -148.98 -0.01 0.52 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.439 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.703 ' O ' HG12 ' A' ' 91' ' ' VAL . 41.5 t -175.81 88.32 0.29 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.501 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.489 ' O ' ' CB ' ' A' ' 92' ' ' PHE . 37.5 Cg_endo -69.13 -15.14 39.19 Favored 'Trans proline' 0 C--N 1.305 -1.735 0 C-N-CA 122.721 2.28 . . . . 0.0 112.128 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 16.4 ptt-85 -86.59 -33.88 20.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.524 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -79.68 -57.28 3.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.47 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.703 HG12 ' O ' ' A' ' 87' ' ' SER . 9.1 p -57.76 -51.01 75.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.523 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.65 ' N ' HG13 ' A' ' 91' ' ' VAL . 85.6 t80 -46.29 -51.98 13.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.463 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -68.02 -30.54 69.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.439 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 16.0 tpp180 -71.49 -57.96 3.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.553 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.624 HG23 ' N ' ' A' ' 96' ' ' ALA . 27.7 m -59.37 -48.1 88.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.491 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.624 ' N ' HG23 ' A' ' 95' ' ' VAL . . . -55.08 -27.74 47.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.487 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -81.79 -39.02 24.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.53 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 99' ' ' MET . 99.4 m-20 -63.05 -38.64 91.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.596 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' MET . . . . . 0.409 ' C ' ' O ' ' A' ' 98' ' ' ASP . 65.2 mtt -38.42 -68.86 0.14 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.599 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.612 ' CD2' ' O ' ' A' ' 100' ' ' PHE . 19.7 p90 -111.31 57.59 0.63 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.603 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.1 t -74.65 -26.79 60.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.641 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ASP . . . . . 0.536 ' O ' ' C ' ' A' ' 103' ' ' GLY . 55.3 p-10 -155.64 -18.31 0.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.572 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.536 ' C ' ' O ' ' A' ' 102' ' ' ASP . . . -26.38 -80.7 0.01 OUTLIER Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' ASN . . . . . 0.608 ' O ' ' CG ' ' A' ' 105' ' ' PHE . 9.9 m-20 174.52 34.3 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.755 0.312 . . . . 0.0 110.592 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.608 ' CG ' ' O ' ' A' ' 104' ' ' ASN . 30.6 p90 42.66 29.13 0.15 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.543 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.52 ' O ' ' HB2' ' A' ' 107' ' ' TRP . 26.7 p30 -52.1 -110.54 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.557 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' TRP . . . . . 0.544 ' HE1' HD12 ' A' ' 148' ' ' LEU . 6.5 t90 174.65 -26.13 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.512 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' GLY . . . . . 0.591 ' O ' HG12 ' A' ' 111' ' ' VAL . . . -50.07 -42.21 39.33 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' ARG . . . . . 0.55 ' H ' ' HG3' ' A' ' 109' ' ' ARG . 0.0 OUTLIER -48.12 -26.1 1.73 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.74 0.305 . . . . 0.0 110.533 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.535 HG21 ' NE1' ' A' ' 107' ' ' TRP . 34.7 t -52.49 -57.95 3.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.55 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.591 HG12 ' O ' ' A' ' 108' ' ' GLY . 4.7 p -45.23 -46.75 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.596 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.58 ' N ' HG13 ' A' ' 111' ' ' VAL . . . -58.17 -34.89 70.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.519 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.661 ' O ' HD23 ' A' ' 113' ' ' LEU . 1.9 tt -57.0 -46.95 81.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.522 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -57.1 -44.07 82.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.619 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 92.0 t80 -67.86 -43.79 78.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.503 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.458 ' CE2' HG21 ' A' ' 95' ' ' VAL . 93.4 t80 -58.99 -41.79 88.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.541 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -70.95 -32.68 69.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.48 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 5.2 t -48.56 -44.43 36.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.524 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.811 ' O ' ' CB ' ' A' ' 123' ' ' LYS . 55.1 mmtt -59.68 -43.66 93.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.524 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 52.6 mt -68.15 -31.36 70.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.518 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.44 ' CG2' HG21 ' A' ' 136' ' ' ILE . 75.6 t -77.13 -53.36 14.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.511 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.463 HD22 ' CB ' ' A' ' 35' ' ' ALA . 70.0 mt -72.84 -41.19 65.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.576 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.811 ' CB ' ' O ' ' A' ' 119' ' ' LYS . 43.1 tptt -57.98 -41.55 83.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.551 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.453 ' O ' ' OG1' ' A' ' 127' ' ' THR . . . -75.05 -22.0 58.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.595 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 6.3 tt -63.0 -32.42 73.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.564 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 34.3 t -83.16 -35.64 25.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.638 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.749 ' O ' ' HB2' ' A' ' 128' ' ' LYS . 54.8 p -53.67 -18.8 3.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.588 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 128' ' ' LYS . . . . . 0.749 ' HB2' ' O ' ' A' ' 127' ' ' THR . 61.3 mttp 87.39 44.8 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.574 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 48.5 t -147.91 89.54 5.28 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.534 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 130' ' ' PRO . . . . . 0.415 ' HA ' HD12 ' A' ' 133' ' ' ILE . 43.0 Cg_endo -71.38 -15.02 31.3 Favored 'Trans proline' 0 C--N 1.305 -1.734 0 C-N-CA 122.69 2.26 . . . . 0.0 112.028 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 131' ' ' GLU . . . . . 0.795 ' O ' HG23 ' A' ' 135' ' ' THR . 80.9 tt0 -64.46 -39.38 93.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.502 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.519 ' HA ' ' OG1' ' A' ' 135' ' ' THR . 2.2 tp -62.94 -32.27 73.54 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.527 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.415 HD12 ' HA ' ' A' ' 130' ' ' PRO . 97.5 mt -58.88 -49.46 82.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.472 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 134' ' ' ARG . . . . . 0.417 HH21 ' HB3' ' A' ' 46' ' ' ALA . 88.8 mtt180 -69.34 -34.81 75.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.558 179.815 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 135' ' ' THR . . . . . 0.795 HG23 ' O ' ' A' ' 131' ' ' GLU . 67.0 p -67.06 -32.05 72.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.451 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 136' ' ' ILE . . . . . 0.44 HG21 ' CG2' ' A' ' 121' ' ' VAL . 48.0 mt -69.57 -59.03 3.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.53 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 85.2 mtp -46.38 -25.39 0.64 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.549 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -68.74 -40.48 85.29 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 139' ' ' TRP . . . . . 0.559 ' CD1' ' N ' ' A' ' 139' ' ' TRP . 9.1 m0 -66.35 -24.43 66.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.758 0.313 . . . . 0.0 110.533 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 140' ' ' THR . . . . . 0.469 ' OG1' ' N ' ' A' ' 141' ' ' LEU . 22.9 p -75.49 -65.89 0.84 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.593 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 141' ' ' LEU . . . . . 0.469 ' N ' ' OG1' ' A' ' 140' ' ' THR . 54.5 mt -51.81 -33.63 36.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.514 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -65.65 -51.1 62.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.589 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 143' ' ' PHE . . . . . 0.447 ' O ' ' HB2' ' A' ' 147' ' ' ARG . 38.6 t80 -66.8 -38.94 87.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.505 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.582 HD12 ' HB2' ' A' ' 148' ' ' LEU . 2.2 tp -71.03 -35.53 72.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.577 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 58.6 ttp180 -83.02 -10.64 58.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.583 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -112.06 -4.59 14.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.528 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 147' ' ' ARG . . . . . 1.152 ' O ' ' N ' ' A' ' 149' ' ' LEU . 23.1 mmt180 -142.16 -110.81 0.13 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.556 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 148' ' ' LEU . . . . . 0.812 ' H ' HD22 ' A' ' 148' ' ' LEU . 1.0 OUTLIER -15.5 -27.79 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.536 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 149' ' ' LEU . . . . . 1.152 ' N ' ' O ' ' A' ' 147' ' ' ARG . 52.6 tp -49.04 -56.4 9.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.545 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -63.8 -50.66 59.69 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 151' ' ' TRP . . . . . . . . . . . . . 98.8 m95 -66.21 -55.91 13.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.805 0.336 . . . . 0.0 110.579 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 152' ' ' ILE . . . . . 0.695 ' N ' ' O ' ' A' ' 148' ' ' LEU . 10.2 tt -51.33 -34.24 14.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.605 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -67.5 -31.1 70.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.59 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 154' ' ' ASP . . . . . 0.458 ' OD1' ' O ' ' A' ' 154' ' ' ASP . 53.5 t0 -89.28 -4.6 58.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.539 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -97.48 0.82 48.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.544 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 83.71 24.78 48.62 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 89.73 -160.35 28.78 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 158' ' ' TRP . . . . . 0.411 ' NE1' HD11 ' A' ' 152' ' ' ILE . 49.2 m95 -73.91 -5.69 42.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.839 0.352 . . . . 0.0 110.563 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -60.81 -42.47 97.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.556 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -54.46 -32.18 52.32 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.871 -0.892 . . . . 0.0 110.871 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 161' ' ' LEU . . . . . 0.575 ' O ' HD23 ' A' ' 161' ' ' LEU . 1.9 tt -62.95 -54.04 44.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.783 0.325 . . . . 0.0 110.56 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 62.2 tp -66.98 -31.2 71.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.562 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 5.6 t -66.62 -26.47 67.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.597 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 93.5 t80 -76.32 -42.83 43.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.547 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -71.69 47.93 0.14 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.573 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -130.71 39.0 1.85 Allowed Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 167' ' ' THR . . . . . 1.081 ' OG1' ' HD2' ' A' ' 168' ' ' PRO . 0.6 OUTLIER -108.45 -178.86 0.61 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 120.855 0.36 . . . . 0.0 110.602 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 168' ' ' PRO . . . . . 1.081 ' HD2' ' OG1' ' A' ' 167' ' ' THR . 56.9 Cg_endo -74.75 -146.35 0.03 OUTLIER 'Trans proline' 0 C--N 1.305 -1.718 0 C-N-CA 122.846 2.364 . . . . 0.0 112.102 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 169' ' ' THR . . . . . 0.597 ' C ' ' O ' ' A' ' 168' ' ' PRO . 29.4 p -22.12 100.49 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.567 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 170' ' ' TRP . . . . . 0.687 ' O ' HG22 ' A' ' 173' ' ' VAL . 29.9 p90 -64.32 -18.63 64.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.628 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 171' ' ' GLN . . . . . 0.416 ' O ' HD12 ' A' ' 175' ' ' ILE . 0.0 OUTLIER -47.14 -14.15 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.549 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 172' ' ' THR . . . . . 0.473 ' N ' ' O ' ' A' ' 170' ' ' TRP . 5.0 m -87.02 -29.52 21.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.508 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 173' ' ' VAL . . . . . 0.687 HG22 ' O ' ' A' ' 170' ' ' TRP . 2.0 m -72.07 -45.66 62.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.572 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 174' ' ' THR . . . . . 0.567 ' N ' ' CG2' ' A' ' 173' ' ' VAL . 25.2 m -64.63 -24.86 67.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.53 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 175' ' ' ILE . . . . . 0.553 HG22 ' O ' ' A' ' 175' ' ' ILE . 90.5 mt -85.78 -7.53 10.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.528 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 176' ' ' PHE . . . . . 0.482 ' O ' HG12 ' A' ' 180' ' ' VAL . 63.0 t80 -94.67 -60.05 1.79 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.554 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 3.1 m -62.14 -16.76 16.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.59 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 178' ' ' ALA . . . . . 0.623 ' O ' ' OG1' ' A' ' 182' ' ' THR . . . -95.45 -45.97 6.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.556 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -62.28 -26.2 67.54 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 180' ' ' VAL . . . . . 0.698 HG13 ' N ' ' A' ' 181' ' ' LEU . 13.7 p -86.21 -51.78 12.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.81 0.338 . . . . 0.0 110.496 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 181' ' ' LEU . . . . . 0.698 ' N ' HG13 ' A' ' 180' ' ' VAL . 42.1 tp -69.27 -47.96 63.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.599 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 182' ' ' THR . . . . . 0.623 ' OG1' ' O ' ' A' ' 178' ' ' ALA . 25.6 m -50.57 -51.33 49.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.562 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -47.41 -45.65 25.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.594 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 184' ' ' SER . . . . . . . . . . . . . 29.7 t -54.43 -37.91 65.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.542 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 59.8 mt -77.62 -21.77 51.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.539 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 20.7 m -73.23 -44.86 58.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.563 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 187' ' ' ILE . . . . . 0.64 HG23 ' N ' ' A' ' 188' ' ' TRP . 12.6 tt -73.71 -51.56 24.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.561 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 188' ' ' TRP . . . . . 0.64 ' N ' HG23 ' A' ' 187' ' ' ILE . 0.2 OUTLIER -30.74 -56.98 0.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.552 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 8.0 mmtt -175.71 128.28 0.24 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.617 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 190' ' ' LYS . . . . . . . . . . . . . 14.2 ptmt -109.95 89.54 3.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.557 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 191' ' ' MET . . . . . . . . . . . . . 92.3 mtp -128.54 136.59 50.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.583 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.717 0 CA-C-O 117.981 -1.455 . . . . 0.0 110.93 -179.98 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.828 ' O ' HD12 ' A' ' 19' ' ' ILE . 53.1 p . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.744 0.307 . . . . 0.0 110.563 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 30.9 m -95.35 -18.51 20.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.602 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -90.94 -50.24 5.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.629 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.5 tm0? -55.12 -34.07 63.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.705 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.828 HD12 ' O ' ' A' ' 15' ' ' SER . 63.6 mt -73.76 -51.49 24.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.798 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 47.7 ttp -57.58 -35.49 70.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.739 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.469 ' O ' HD23 ' A' ' 25' ' ' LEU . 64.7 tttm -69.04 -42.05 76.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.718 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 30.1 m -74.22 -14.63 60.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.68 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -73.97 -54.08 6.67 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.59 -11.26 59.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.778 0.323 . . . . 0.0 110.635 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.528 ' O ' ' C ' ' A' ' 26' ' ' LEU . 2.2 mm? -86.1 -78.03 0.29 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.598 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.528 ' C ' ' O ' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -29.5 -64.34 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.567 -179.948 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.503 ' N ' HD12 ' A' ' 27' ' ' LEU . 11.0 mp -52.6 -56.37 15.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.61 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.429 ' HA ' HD12 ' A' ' 31' ' ' ILE . 4.3 tp-100 -48.81 -18.04 0.24 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.66 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.527 ' O ' ' N ' ' A' ' 31' ' ' ILE . . . -88.59 -72.27 1.27 Allowed Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 42.9 t80 -42.59 -18.85 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.804 0.335 . . . . 0.0 110.604 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.527 ' N ' ' O ' ' A' ' 29' ' ' GLY . 90.3 mt -77.05 -68.83 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.611 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -79.05 29.76 0.21 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.593 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.411 ' H ' ' C ' ' A' ' 31' ' ' ILE . 65.8 t0 -112.78 -50.98 2.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.582 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 15.7 ptm180 -91.32 -26.95 18.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.577 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.469 ' CB ' HD22 ' A' ' 122' ' ' LEU . . . -99.05 -13.15 19.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.533 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.6 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 -179.976 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 N--CA 1.49 1.308 0 CA-C-O 120.827 0.261 . . . . 0.0 112.12 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.689 ' OE1' ' N ' ' A' ' 44' ' ' GLU . 54.9 mp0 -70.12 -20.42 63.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.593 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.985 HD22 ' H ' ' A' ' 45' ' ' LEU . 0.4 OUTLIER -86.56 64.51 8.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.603 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -78.34 137.39 38.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.555 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.1 tp . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.539 -179.988 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 49.0 t0 . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.774 0.321 . . . . 0.0 110.615 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -83.44 -3.32 57.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.616 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 77.8 p -56.76 -39.94 74.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.563 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 45.9 p -81.05 -33.8 33.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.616 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 4.5 tmtt? -50.75 -54.61 21.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.631 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 30.8 ttpt -60.16 -47.51 85.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.563 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.64 ' O ' HD23 ' A' ' 59' ' ' LEU . 0.9 OUTLIER -62.15 -26.33 68.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.553 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.3 t -71.33 -35.46 71.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.554 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -63.67 -31.88 73.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.515 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.426 ' O ' HG22 ' A' ' 66' ' ' ILE . 99.4 m -64.24 -37.81 88.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.601 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.471 ' N ' HD12 ' A' ' 63' ' ' LEU . 9.7 mp -75.19 -24.81 57.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.602 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -84.19 -36.7 22.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.56 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.438 ' O ' ' OE2' ' A' ' 69' ' ' GLU . 99.7 mtt180 -68.49 -44.49 74.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.54 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.426 HG22 ' O ' ' A' ' 62' ' ' CYS . 20.5 tt -76.44 -35.01 25.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.636 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.425 ' O ' ' CB ' ' A' ' 71' ' ' ASP . . . -61.09 -45.43 96.59 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -62.73 -34.29 76.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.79 0.329 . . . . 0.0 110.591 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.527 ' OE1' ' N ' ' A' ' 69' ' ' GLU . 0.3 OUTLIER -79.64 -58.46 3.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.574 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.18 -43.07 74.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.557 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.529 ' OD1' ' NE2' ' A' ' 77' ' ' GLN . 38.8 t70 -65.09 -8.67 17.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.633 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.9 t -96.44 7.07 47.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.615 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -93.0 111.47 23.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.576 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 78.8 mtm -68.31 -11.22 59.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.524 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -80.35 -67.26 0.78 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.607 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 7.5 tp -59.91 -40.24 88.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.52 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.529 ' NE2' ' OD1' ' A' ' 71' ' ' ASP . 15.7 mm100 -61.83 -37.9 86.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.532 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 75.2 ttt180 -68.52 -44.94 73.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.561 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.487 ' SD ' HG23 ' A' ' 182' ' ' THR . 73.9 mtp -54.48 -43.95 72.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.594 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.645 ' O ' HG12 ' A' ' 83' ' ' VAL . 81.4 mt -62.36 -23.78 33.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.538 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -85.88 -18.84 31.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.596 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -86.43 -15.41 40.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.59 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.876 ' O ' HG13 ' A' ' 83' ' ' VAL . 8.0 p -89.38 82.18 2.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.571 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.437 ' O ' ' O ' ' A' ' 83' ' ' VAL . 99.1 m-20 -40.05 162.51 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.561 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 77.5 p -119.72 119.31 33.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.603 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 60.9 m-20 -148.2 0.02 0.6 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.531 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.695 ' O ' HG12 ' A' ' 91' ' ' VAL . 45.4 t -176.11 88.92 0.28 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.464 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.48 ' O ' ' CB ' ' A' ' 92' ' ' PHE . 38.1 Cg_endo -69.62 -14.42 36.51 Favored 'Trans proline' 0 C--N 1.305 -1.762 0 C-N-CA 122.82 2.347 . . . . 0.0 112.13 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 33.8 ptt-85 -86.63 -34.83 19.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.564 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -79.15 -57.8 3.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.554 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.695 HG12 ' O ' ' A' ' 87' ' ' SER . 10.0 p -56.72 -51.35 67.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.556 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.661 ' N ' HG13 ' A' ' 91' ' ' VAL . 84.7 t80 -46.3 -52.04 13.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.543 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -68.14 -30.19 69.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.502 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.668 ' NE ' ' HE1' ' A' ' 188' ' ' TRP . 23.9 ttp180 -71.73 -57.65 4.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.471 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.622 HG23 ' N ' ' A' ' 96' ' ' ALA . 27.8 m -59.76 -48.09 88.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.554 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.622 ' N ' HG23 ' A' ' 95' ' ' VAL . . . -55.01 -27.75 46.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.569 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -81.82 -38.87 24.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.501 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 99' ' ' MET . 99.7 m-20 -63.19 -38.62 91.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.574 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' MET . . . . . 0.542 ' HB2' HH21 ' A' ' 109' ' ' ARG . 63.6 mtt -38.44 -68.89 0.14 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.559 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.605 ' CD2' ' O ' ' A' ' 100' ' ' PHE . 17.9 p90 -111.22 57.51 0.62 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.632 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.1 t -74.59 -26.85 60.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.595 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ASP . . . . . 0.53 ' O ' ' C ' ' A' ' 103' ' ' GLY . 55.1 p-10 -155.63 -18.34 0.11 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.569 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.53 ' C ' ' O ' ' A' ' 102' ' ' ASP . . . -26.4 -80.6 0.01 OUTLIER Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' ASN . . . . . 0.606 ' O ' ' CG ' ' A' ' 105' ' ' PHE . 8.8 m-20 174.47 34.39 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.766 0.317 . . . . 0.0 110.579 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.606 ' CG ' ' O ' ' A' ' 104' ' ' ASN . 29.8 p90 42.69 29.0 0.14 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.5 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.518 ' O ' ' HB2' ' A' ' 107' ' ' TRP . 28.0 p30 -52.09 -110.52 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.593 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' TRP . . . . . 0.545 ' NE1' HG21 ' A' ' 110' ' ' VAL . 6.7 t90 174.7 -26.18 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.474 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' GLY . . . . . 0.588 ' O ' HG12 ' A' ' 111' ' ' VAL . . . -50.19 -41.99 39.92 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' ARG . . . . . 0.542 HH21 ' HB2' ' A' ' 99' ' ' MET . 0.0 OUTLIER -48.13 -26.22 1.78 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.772 0.32 . . . . 0.0 110.575 179.945 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.545 HG21 ' NE1' ' A' ' 107' ' ' TRP . 36.1 t -52.5 -57.85 3.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.544 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.588 HG12 ' O ' ' A' ' 108' ' ' GLY . 4.6 p -45.32 -46.72 3.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.511 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.579 ' N ' HG13 ' A' ' 111' ' ' VAL . . . -58.0 -35.34 71.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.563 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.67 ' O ' HD23 ' A' ' 113' ' ' LEU . 2.0 tt -56.65 -46.84 80.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.564 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' PHE . . . . . 0.446 ' CZ ' ' CG1' ' A' ' 110' ' ' VAL . 9.8 m-85 -57.09 -44.18 82.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.549 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 93.3 t80 -67.99 -43.75 78.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.538 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.451 ' CE2' HG21 ' A' ' 95' ' ' VAL . 93.1 t80 -58.8 -42.03 88.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.573 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.513 ' O ' HG23 ' A' ' 121' ' ' VAL . . . -70.84 -32.66 69.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.504 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 4.7 t -48.48 -44.62 35.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.557 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.82 ' O ' ' CB ' ' A' ' 123' ' ' LYS . 30.4 mmtm -59.53 -43.72 93.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.493 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 52.8 mt -67.98 -31.62 71.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.57 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.736 HG13 HG23 ' A' ' 133' ' ' ILE . 49.2 t -76.77 -53.54 14.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.603 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.469 HD22 ' CB ' ' A' ' 35' ' ' ALA . 71.1 mt -72.91 -40.89 65.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.574 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.82 ' CB ' ' O ' ' A' ' 119' ' ' LYS . 88.7 tttt -58.07 -41.12 82.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.557 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -75.61 -22.12 57.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.594 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 54.2 tp -62.83 -32.41 73.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.523 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 126' ' ' CYS . . . . . 0.477 ' SG ' ' N ' ' A' ' 127' ' ' THR . 13.1 p -83.14 -35.45 25.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.594 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.748 ' O ' ' HB2' ' A' ' 128' ' ' LYS . 55.8 m -53.57 -18.76 3.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.516 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 128' ' ' LYS . . . . . 0.748 ' HB2' ' O ' ' A' ' 127' ' ' THR . 42.2 mtmt 87.63 43.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.6 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 129' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 129' ' ' VAL . 17.6 m -147.28 90.97 5.18 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.61 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -72.66 -14.46 27.27 Favored 'Trans proline' 0 C--N 1.305 -1.717 0 C-N-CA 122.788 2.325 . . . . 0.0 112.004 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -65.06 -39.87 93.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.496 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 2.1 tp -62.23 -32.52 73.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.577 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.736 HG23 HG13 ' A' ' 121' ' ' VAL . 22.1 mm -58.8 -49.32 83.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.493 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 63.3 ttm-85 -69.57 -34.65 74.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.427 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 7.8 m -67.26 -31.77 72.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.52 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 136' ' ' ILE . . . . . 0.419 HG21 ' CG2' ' A' ' 121' ' ' VAL . 45.5 mt -69.9 -58.67 4.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.524 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 65.2 ttp -46.64 -25.41 0.71 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.484 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -68.75 -40.47 85.25 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 139' ' ' TRP . . . . . 0.507 ' CD1' ' N ' ' A' ' 139' ' ' TRP . 12.6 m0 -66.3 -24.42 66.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.767 0.317 . . . . 0.0 110.564 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 140' ' ' THR . . . . . 0.468 ' OG1' ' N ' ' A' ' 141' ' ' LEU . 24.1 p -75.52 -65.81 0.85 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.574 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 141' ' ' LEU . . . . . 0.468 ' N ' ' OG1' ' A' ' 140' ' ' THR . 57.3 mt -51.8 -33.58 36.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.594 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -65.69 -51.13 61.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.564 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 143' ' ' PHE . . . . . 0.438 ' O ' ' HB2' ' A' ' 147' ' ' ARG . 5.9 t80 -66.8 -38.89 87.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.586 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.56 HD12 ' HB2' ' A' ' 148' ' ' LEU . 1.8 tp -71.04 -35.55 72.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.557 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 59.2 ttp180 -83.06 -10.67 58.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.593 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -111.96 -4.7 14.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.577 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 147' ' ' ARG . . . . . 1.152 ' O ' ' N ' ' A' ' 149' ' ' LEU . 11.4 mtp180 -142.02 -110.84 0.13 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.588 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 148' ' ' LEU . . . . . 0.815 ' H ' HD22 ' A' ' 148' ' ' LEU . 1.0 OUTLIER -15.45 -27.72 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.504 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 149' ' ' LEU . . . . . 1.152 ' N ' ' O ' ' A' ' 147' ' ' ARG . 33.8 tp -49.13 -56.33 9.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.521 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -63.9 -50.68 59.32 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 151' ' ' TRP . . . . . . . . . . . . . 99.1 m95 -66.16 -55.94 13.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.859 0.361 . . . . 0.0 110.56 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 152' ' ' ILE . . . . . 0.696 ' N ' ' O ' ' A' ' 148' ' ' LEU . 10.5 tt -51.32 -34.36 14.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.546 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 12.3 tm0? -67.42 -31.18 71.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.619 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -89.11 -4.64 58.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.58 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -97.48 0.9 48.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.551 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 83.69 24.72 48.94 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 89.77 -160.34 28.72 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 158' ' ' TRP . . . . . 0.483 ' CD1' HD11 ' A' ' 152' ' ' ILE . 33.4 m95 -73.93 -5.69 42.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.767 0.318 . . . . 0.0 110.56 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -60.84 -42.44 97.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.606 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -54.36 -32.32 51.74 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.876 -0.89 . . . . 0.0 110.876 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 161' ' ' LEU . . . . . 0.586 ' O ' HD23 ' A' ' 161' ' ' LEU . 2.1 tt -62.87 -54.03 44.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.824 0.345 . . . . 0.0 110.579 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 49.1 tp -67.0 -31.14 71.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.581 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 5.2 t -66.63 -26.69 67.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.517 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 94.3 t80 -76.07 -42.86 46.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.631 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -71.62 47.89 0.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.617 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -130.65 38.9 1.87 Allowed Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 167' ' ' THR . . . . . 1.103 ' OG1' ' HD2' ' A' ' 168' ' ' PRO . 0.6 OUTLIER -108.53 -178.38 0.56 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 120.912 0.387 . . . . 0.0 110.569 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 168' ' ' PRO . . . . . 1.103 ' HD2' ' OG1' ' A' ' 167' ' ' THR . 57.2 Cg_endo -75.34 -147.01 0.03 OUTLIER 'Trans proline' 0 C--N 1.305 -1.759 0 C-N-CA 122.827 2.352 . . . . 0.0 112.082 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 169' ' ' THR . . . . . 0.602 ' C ' ' O ' ' A' ' 168' ' ' PRO . 20.1 p -21.35 100.23 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.552 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 170' ' ' TRP . . . . . 0.68 ' O ' HG22 ' A' ' 173' ' ' VAL . 34.0 p90 -64.18 -18.56 64.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.572 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 171' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.21 -14.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.556 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 172' ' ' THR . . . . . 0.519 ' O ' HG22 ' A' ' 175' ' ' ILE . 5.4 m -87.11 -29.56 21.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.5 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 173' ' ' VAL . . . . . 0.68 HG22 ' O ' ' A' ' 170' ' ' TRP . 1.9 m -72.07 -45.65 62.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.561 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 174' ' ' THR . . . . . 0.566 ' N ' ' CG2' ' A' ' 173' ' ' VAL . 24.9 m -64.56 -25.02 67.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.546 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 175' ' ' ILE . . . . . 0.519 HG22 ' O ' ' A' ' 172' ' ' THR . 1.7 tt -85.66 -7.59 10.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.575 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 176' ' ' PHE . . . . . 0.482 ' O ' HG12 ' A' ' 180' ' ' VAL . 63.8 t80 -94.61 -60.01 1.8 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.611 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 3.1 m -62.13 -16.75 16.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.536 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 178' ' ' ALA . . . . . 0.62 ' O ' ' OG1' ' A' ' 182' ' ' THR . . . -95.55 -45.91 6.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.578 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -62.27 -26.22 67.54 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 180' ' ' VAL . . . . . 0.7 HG13 ' N ' ' A' ' 181' ' ' LEU . 13.6 p -86.25 -51.72 12.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.829 0.347 . . . . 0.0 110.577 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 181' ' ' LEU . . . . . 0.7 ' N ' HG13 ' A' ' 180' ' ' VAL . 42.0 tp -69.31 -47.9 63.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.666 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 182' ' ' THR . . . . . 0.62 ' OG1' ' O ' ' A' ' 178' ' ' ALA . 26.1 m -50.54 -51.41 48.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.584 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -47.3 -45.71 24.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.602 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 184' ' ' SER . . . . . . . . . . . . . 27.4 t -54.5 -37.82 65.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.592 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 62.4 mt -77.65 -21.69 51.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.587 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 20.4 m -73.28 -44.89 58.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.53 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 187' ' ' ILE . . . . . 0.637 HG23 ' N ' ' A' ' 188' ' ' TRP . 12.4 tt -73.72 -51.57 24.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.57 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 188' ' ' TRP . . . . . 0.668 ' HE1' ' NE ' ' A' ' 94' ' ' ARG . 8.0 t90 -30.67 -56.91 0.21 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.594 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 7.5 mmtt -175.77 128.25 0.24 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.572 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 190' ' ' LYS . . . . . . . . . . . . . 14.6 ptmt -109.92 89.55 3.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.577 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 191' ' ' MET . . . . . . . . . . . . . 82.5 mtp -128.58 136.64 50.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.577 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.789 0 CA-C-O 117.989 -1.451 . . . . 0.0 110.913 -179.958 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 90.5 p . . . . . 0 CA--C 1.526 0.041 0 CA-C-O 120.839 0.352 . . . . 0.0 110.561 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.8 m -89.79 -10.25 46.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.513 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -73.23 -44.91 58.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.615 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.604 HE22 ' CG2' ' A' ' 22' ' ' THR . 2.1 tm0? -73.01 -21.23 60.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.563 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.44 HG23 ' HE1' ' A' ' 158' ' ' TRP . 30.3 mt -83.38 -56.95 4.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.439 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.448 ' SD ' ' C ' ' A' ' 20' ' ' MET . 2.1 tmt? -51.38 -37.02 45.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.597 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -67.19 -46.41 74.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.571 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.604 ' CG2' HE22 ' A' ' 18' ' ' GLN . 41.7 p -72.01 -6.84 45.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.587 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -80.77 -53.92 3.84 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.29 -9.23 59.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.804 0.335 . . . . 0.0 110.537 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.592 ' C ' HD23 ' A' ' 25' ' ' LEU . 6.4 tt -86.67 -81.04 0.23 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.587 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.553 ' C ' ' O ' ' A' ' 25' ' ' LEU . 67.8 mt -26.36 -66.05 0.06 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.563 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.965 ' O ' HG13 ' A' ' 31' ' ' ILE . 3.8 tp -51.13 -58.08 7.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.512 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.641 ' HA ' HD12 ' A' ' 31' ' ' ILE . 7.3 tp-100 -47.25 -17.91 0.08 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.527 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.546 ' O ' ' N ' ' A' ' 31' ' ' ILE . . . -88.77 -72.86 1.28 Allowed Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -42.08 -18.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.803 0.335 . . . . 0.0 110.631 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.965 HG13 ' O ' ' A' ' 27' ' ' LEU . 57.6 mt -76.93 -69.35 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.552 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.751 ' CB ' HD12 ' A' ' 45' ' ' LEU . 10.4 tt0 -78.69 29.62 0.2 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.588 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.419 ' H ' ' C ' ' A' ' 31' ' ' ILE . 66.5 t0 -112.43 -51.52 2.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.599 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 -90.65 -27.5 18.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.516 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.464 ' CB ' HD22 ' A' ' 122' ' ' LEU . . . -98.08 -13.78 20.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.567 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.43 ' O ' ' O ' ' A' ' 32' ' ' GLN . . . . . . . . 0 CA--C 1.524 0.651 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.472 ' HB3' ' OE1' ' A' ' 32' ' ' GLN . 50.2 Cg_exo . . . . . 0 N--CA 1.492 1.393 0 CA-C-O 120.805 0.252 . . . . 0.0 112.079 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 56.3 mp0 -94.86 -13.92 25.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.533 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.751 HD12 ' CB ' ' A' ' 32' ' ' GLN . 45.1 mt -99.02 62.22 1.28 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.564 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.494 ' O ' ' HB2' ' A' ' 47' ' ' LEU . . . -71.65 136.92 47.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.619 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.494 ' HB2' ' O ' ' A' ' 46' ' ' ALA . 1.6 tp . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.566 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.785 0.326 . . . . 0.0 110.621 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -83.26 -3.1 57.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.627 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 91.2 p -59.17 -39.58 82.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.551 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 17.9 p -81.72 -33.78 30.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.604 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 64.1 mmtt -50.27 -54.84 18.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.565 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 30.8 ttpt -59.84 -47.84 84.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.599 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.624 ' O ' HD23 ' A' ' 59' ' ' LEU . 0.8 OUTLIER -61.9 -26.35 68.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.548 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.5 t -71.28 -35.37 71.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.597 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -63.82 -31.74 73.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.616 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.433 ' O ' HG22 ' A' ' 66' ' ' ILE . 95.4 m -64.3 -37.88 89.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.569 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.488 ' N ' HD12 ' A' ' 63' ' ' LEU . 8.3 mp -75.24 -24.57 57.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.645 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -84.33 -36.67 22.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.502 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.437 ' O ' ' OE2' ' A' ' 69' ' ' GLU . 99.7 mtt180 -68.62 -44.4 74.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.551 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.433 HG22 ' O ' ' A' ' 62' ' ' CYS . 20.4 tt -76.54 -35.01 25.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.548 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.428 ' O ' ' CB ' ' A' ' 71' ' ' ASP . . . -61.03 -45.43 96.61 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -62.72 -34.26 76.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.717 0.294 . . . . 0.0 110.558 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.541 ' OE1' ' N ' ' A' ' 69' ' ' GLU . 0.3 OUTLIER -79.74 -58.48 3.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.487 -179.93 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.21 -43.05 74.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.518 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.428 ' CB ' ' O ' ' A' ' 67' ' ' GLY . 53.0 t0 -65.05 -8.69 17.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.589 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.7 t -96.45 7.06 47.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.567 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -92.97 111.5 23.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.54 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 3.9 mmt -68.38 -11.19 59.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.498 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -80.29 -67.34 0.78 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.553 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 7.1 tp -59.85 -40.25 87.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.608 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.608 HE22 ' NZ ' ' A' ' 119' ' ' LYS . 20.5 mm100 -61.73 -38.05 86.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.532 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 72.3 ttt180 -68.4 -44.98 73.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.573 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.492 ' SD ' HG23 ' A' ' 182' ' ' THR . 74.1 mtp -54.53 -43.95 72.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.549 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.646 ' O ' HG12 ' A' ' 83' ' ' VAL . 86.0 mt -62.31 -23.74 32.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.627 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -85.94 -18.71 31.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.55 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -86.45 -15.56 39.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.53 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.881 ' O ' HG13 ' A' ' 83' ' ' VAL . 7.6 p -89.38 83.05 2.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.63 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 53.8 p-10 -41.52 161.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.427 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 75.4 p -119.05 121.13 39.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.581 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -149.89 0.06 0.46 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.426 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.644 ' O ' HG12 ' A' ' 91' ' ' VAL . 35.4 t -175.88 85.63 0.29 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.477 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.51 ' O ' ' CB ' ' A' ' 92' ' ' PHE . 29.5 Cg_endo -66.14 -16.55 52.48 Favored 'Trans proline' 0 C--N 1.305 -1.727 0 C-N-CA 122.793 2.329 . . . . 0.0 112.07 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 34.4 ptt-85 -84.61 -36.74 21.83 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.464 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -76.68 -58.98 2.97 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.511 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.673 HG13 ' N ' ' A' ' 92' ' ' PHE . 10.3 p -55.79 -52.1 52.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.565 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.673 ' N ' HG13 ' A' ' 91' ' ' VAL . 85.2 t80 -45.38 -52.99 9.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.478 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -67.15 -30.85 70.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.509 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 16.1 tpp180 -71.1 -58.18 3.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.556 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.624 HG23 ' N ' ' A' ' 96' ' ' ALA . 27.9 m -59.17 -48.18 87.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.575 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.624 ' N ' HG23 ' A' ' 95' ' ' VAL . . . -54.92 -27.73 45.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.51 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -81.95 -38.86 24.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.558 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 99' ' ' MET . 99.8 m-20 -63.14 -38.65 92.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.572 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' MET . . . . . 0.526 ' HB2' HH21 ' A' ' 109' ' ' ARG . 64.1 mtt -38.24 -69.07 0.13 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.522 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.608 ' CD2' ' O ' ' A' ' 100' ' ' PHE . 17.3 p90 -111.2 57.67 0.62 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.585 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.3 t -74.74 -26.85 60.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.626 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ASP . . . . . 0.552 ' O ' ' C ' ' A' ' 103' ' ' GLY . 55.3 p-10 -155.6 -18.27 0.11 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.547 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.552 ' C ' ' O ' ' A' ' 102' ' ' ASP . . . -26.41 -80.68 0.01 OUTLIER Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' ASN . . . . . 0.607 ' O ' ' CG ' ' A' ' 105' ' ' PHE . 8.3 m-20 174.55 34.35 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.831 0.348 . . . . 0.0 110.584 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.607 ' CG ' ' O ' ' A' ' 104' ' ' ASN . 27.8 p90 42.61 29.15 0.15 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.574 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.523 ' CG ' ' H ' ' A' ' 107' ' ' TRP . 28.7 p30 -52.11 -110.47 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.54 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' TRP . . . . . 0.535 ' NE1' HG21 ' A' ' 110' ' ' VAL . 6.5 t90 174.57 -26.19 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.522 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' GLY . . . . . 0.591 ' O ' HG12 ' A' ' 111' ' ' VAL . . . -50.18 -42.02 39.92 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' ARG . . . . . 0.526 HH21 ' HB2' ' A' ' 99' ' ' MET . 0.0 OUTLIER -48.16 -26.01 1.72 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.808 0.337 . . . . 0.0 110.534 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.535 HG21 ' NE1' ' A' ' 107' ' ' TRP . 33.8 t -52.67 -57.9 3.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.53 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.591 HG12 ' O ' ' A' ' 108' ' ' GLY . 4.7 p -45.25 -46.83 3.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.54 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.581 ' N ' HG13 ' A' ' 111' ' ' VAL . . . -58.12 -34.93 70.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.534 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.667 ' O ' HD23 ' A' ' 113' ' ' LEU . 1.9 tt -56.97 -46.62 82.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.558 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' PHE . . . . . 0.44 ' CZ ' ' CG1' ' A' ' 110' ' ' VAL . 10.2 m-85 -57.41 -43.96 84.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.484 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 88.1 t80 -68.18 -43.39 78.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.528 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.446 ' CE2' HG21 ' A' ' 95' ' ' VAL . 92.5 t80 -59.12 -41.88 89.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.559 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.531 ' O ' HG23 ' A' ' 121' ' ' VAL . . . -71.09 -32.42 69.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.525 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 4.9 t -48.72 -44.03 37.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.534 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.819 ' O ' ' CB ' ' A' ' 123' ' ' LYS . 60.3 mmtt -60.25 -43.51 96.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.54 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 52.6 mt -68.26 -30.69 69.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.523 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.709 HG13 HG23 ' A' ' 133' ' ' ILE . 49.0 t -77.59 -53.54 14.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.538 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.464 HD22 ' CB ' ' A' ' 35' ' ' ALA . 69.3 mt -72.99 -40.69 65.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.558 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.819 ' CB ' ' O ' ' A' ' 119' ' ' LYS . 65.3 tttm -58.19 -40.93 82.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.595 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.429 ' O ' ' OG1' ' A' ' 127' ' ' THR . . . -76.28 -20.43 57.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.575 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.419 HD12 ' HA ' ' A' ' 125' ' ' LEU . 40.6 tp -64.62 -30.37 71.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.548 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 126' ' ' CYS . . . . . 0.499 ' SG ' ' N ' ' A' ' 127' ' ' THR . 6.3 p -84.71 -35.73 22.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.547 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.556 ' O ' ' CB ' ' A' ' 128' ' ' LYS . 40.3 p -54.64 -17.11 2.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.487 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 128' ' ' LYS . . . . . 0.556 ' CB ' ' O ' ' A' ' 127' ' ' THR . 73.7 tttt 85.07 47.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.57 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 129' ' ' VAL . . . . . 0.535 ' CG2' ' OG1' ' A' ' 127' ' ' THR . 0.2 OUTLIER -148.8 85.97 5.91 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.53 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 130' ' ' PRO . . . . . 0.404 ' HA ' HG12 ' A' ' 133' ' ' ILE . 35.1 Cg_endo -68.22 -15.73 43.11 Favored 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 122.85 2.366 . . . . 0.0 112.021 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -63.38 -42.49 98.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.469 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 8.6 mp -59.67 -34.23 72.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.492 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.709 HG23 HG13 ' A' ' 121' ' ' VAL . 21.2 mm -56.88 -50.23 76.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.518 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 -69.07 -34.9 75.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.483 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 8.2 m -67.14 -31.96 72.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.504 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 136' ' ' ILE . . . . . 0.414 HG21 ' CG2' ' A' ' 121' ' ' VAL . 46.4 mt -69.68 -58.88 4.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.545 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 84.0 mtp -46.4 -25.65 0.69 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.532 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -68.57 -40.47 86.12 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 139' ' ' TRP . . . . . 0.512 ' CD1' ' N ' ' A' ' 139' ' ' TRP . 12.9 m0 -66.31 -24.5 66.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.844 0.355 . . . . 0.0 110.563 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 140' ' ' THR . . . . . 0.499 ' OG1' ' N ' ' A' ' 141' ' ' LEU . 16.1 p -75.48 -65.73 0.86 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.568 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 141' ' ' LEU . . . . . 0.499 ' N ' ' OG1' ' A' ' 140' ' ' THR . 55.1 mt -51.88 -33.64 37.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.513 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -65.75 -50.98 62.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.58 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 143' ' ' PHE . . . . . 0.489 ' O ' ' HB2' ' A' ' 147' ' ' ARG . 37.1 t80 -66.92 -38.84 86.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.549 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.511 ' HA ' HD23 ' A' ' 148' ' ' LEU . 0.4 OUTLIER -71.04 -35.54 72.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.555 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 59.0 ttp180 -82.98 -10.68 58.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.561 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -112.07 -4.6 14.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.58 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 147' ' ' ARG . . . . . 1.154 ' O ' ' N ' ' A' ' 149' ' ' LEU . 8.0 mtp180 -142.18 -110.89 0.13 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.64 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 148' ' ' LEU . . . . . 0.845 ' H ' HD22 ' A' ' 148' ' ' LEU . 1.0 OUTLIER -15.35 -27.75 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.542 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 149' ' ' LEU . . . . . 1.154 ' N ' ' O ' ' A' ' 147' ' ' ARG . 40.2 tp -49.2 -56.3 9.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.529 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -63.83 -50.63 59.82 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 151' ' ' TRP . . . . . . . . . . . . . 99.5 m95 -66.24 -55.91 13.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.819 0.342 . . . . 0.0 110.578 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 152' ' ' ILE . . . . . 0.698 ' N ' ' O ' ' A' ' 148' ' ' LEU . 9.1 tt -51.28 -34.29 14.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.494 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 56.8 tt0 -67.53 -31.12 71.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.537 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -89.23 -4.57 58.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.57 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -97.49 0.74 48.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.58 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 83.75 24.57 49.21 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 89.9 -160.4 28.61 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 158' ' ' TRP . . . . . 0.44 ' HE1' HG23 ' A' ' 19' ' ' ILE . 58.5 m95 -73.87 -5.65 42.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.76 0.314 . . . . 0.0 110.52 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -60.88 -42.5 98.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.544 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -54.49 -31.99 52.35 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 161' ' ' LEU . . . . . 0.588 ' O ' HD23 ' A' ' 161' ' ' LEU . 2.0 tt -63.04 -53.97 45.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.847 0.356 . . . . 0.0 110.546 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 52.3 tp -67.26 -30.96 70.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.487 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 21.3 t -66.99 -25.91 66.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.602 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 91.8 t80 -77.05 -42.45 38.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.627 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -71.65 48.28 0.15 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.502 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -131.53 39.61 1.75 Allowed Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 167' ' ' THR . . . . . 0.957 ' OG1' ' HD2' ' A' ' 168' ' ' PRO . 0.6 OUTLIER -108.91 177.88 1.16 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 120.86 0.362 . . . . 0.0 110.602 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 168' ' ' PRO . . . . . 0.957 ' HD2' ' OG1' ' A' ' 167' ' ' THR . 38.6 Cg_endo -70.31 -145.08 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.738 0 C-N-CA 122.815 2.343 . . . . 0.0 112.066 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 169' ' ' THR . . . . . 0.58 ' C ' ' O ' ' A' ' 168' ' ' PRO . 19.1 p -24.47 103.0 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.57 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 170' ' ' TRP . . . . . 0.691 ' O ' HG22 ' A' ' 173' ' ' VAL . 33.5 p90 -65.88 -18.45 65.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.594 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 171' ' ' GLN . . . . . 0.418 ' O ' HD12 ' A' ' 175' ' ' ILE . 0.0 OUTLIER -47.2 -14.41 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.498 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 172' ' ' THR . . . . . 0.468 ' N ' ' O ' ' A' ' 170' ' ' TRP . 4.9 m -86.64 -29.5 22.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.595 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 173' ' ' VAL . . . . . 0.691 HG22 ' O ' ' A' ' 170' ' ' TRP . 2.0 m -72.12 -45.66 61.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.58 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 174' ' ' THR . . . . . 0.564 ' N ' ' CG2' ' A' ' 173' ' ' VAL . 25.1 m -64.59 -24.89 67.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.578 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 175' ' ' ILE . . . . . 0.555 HG22 ' O ' ' A' ' 175' ' ' ILE . 89.3 mt -85.84 -7.41 10.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.537 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 176' ' ' PHE . . . . . 0.484 ' O ' HG12 ' A' ' 180' ' ' VAL . 64.1 t80 -94.72 -60.02 1.79 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.549 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 3.2 m -62.13 -16.7 16.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.532 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 178' ' ' ALA . . . . . 0.625 ' O ' ' OG1' ' A' ' 182' ' ' THR . . . -95.58 -45.9 6.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.546 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -62.34 -26.09 67.53 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 180' ' ' VAL . . . . . 0.697 HG13 ' N ' ' A' ' 181' ' ' LEU . 13.6 p -86.24 -51.79 12.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.756 0.312 . . . . 0.0 110.554 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 181' ' ' LEU . . . . . 0.697 ' N ' HG13 ' A' ' 180' ' ' VAL . 43.4 tp -69.27 -47.95 63.14 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.598 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 182' ' ' THR . . . . . 0.625 ' OG1' ' O ' ' A' ' 178' ' ' ALA . 25.3 m -50.55 -51.31 49.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.592 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -47.39 -45.74 25.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.58 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 184' ' ' SER . . . . . . . . . . . . . 27.8 t -54.38 -37.9 65.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.617 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 62.9 mt -77.62 -21.66 51.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.589 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 21.7 m -73.31 -44.82 58.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.598 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 187' ' ' ILE . . . . . 0.636 HG23 ' N ' ' A' ' 188' ' ' TRP . 12.3 tt -73.67 -51.66 24.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.605 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 188' ' ' TRP . . . . . 0.636 ' N ' HG23 ' A' ' 187' ' ' ILE . 0.1 OUTLIER -30.67 -56.99 0.21 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.619 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 8.2 mmtt -175.72 128.37 0.24 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.543 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 190' ' ' LYS . . . . . . . . . . . . . 14.7 ptmt -109.97 89.52 3.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.539 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 191' ' ' MET . . . . . . . . . . . . . 84.6 mtp -128.58 136.61 50.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.524 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.707 0 CA-C-O 117.987 -1.452 . . . . 0.0 110.926 179.972 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.966 ' O ' HD12 ' A' ' 19' ' ' ILE . 4.2 p . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.886 0.374 . . . . 0.0 110.517 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 45.9 m -96.3 -10.95 26.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.578 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -88.43 -49.56 6.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.588 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -65.78 -23.69 66.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.582 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.966 HD12 ' O ' ' A' ' 15' ' ' SER . 84.6 mt -81.35 -54.79 9.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.625 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.451 ' SD ' ' C ' ' A' ' 20' ' ' MET . 13.4 tmm? -53.58 -36.61 62.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.614 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.3 tppt? -67.19 -46.37 74.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.586 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.455 HG22 ' O ' ' A' ' 22' ' ' THR . 40.5 m -72.05 -8.07 52.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.557 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -79.45 -53.93 4.19 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.44 -9.25 59.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.818 0.342 . . . . 0.0 110.491 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.598 ' C ' HD23 ' A' ' 25' ' ' LEU . 6.6 tt -86.63 -80.92 0.23 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.538 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.553 ' C ' ' O ' ' A' ' 25' ' ' LEU . 48.6 tp -26.57 -66.07 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.567 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.423 ' C ' ' N ' ' A' ' 29' ' ' GLY . 5.7 tp -51.04 -57.99 7.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.618 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.454 ' HA ' HD12 ' A' ' 31' ' ' ILE . 9.5 tm0? -47.35 -17.9 0.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.544 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.542 ' O ' ' N ' ' A' ' 31' ' ' ILE . . . -88.83 -72.87 1.28 Allowed Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.876 -0.889 . . . . 0.0 110.876 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -42.08 -18.8 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.795 0.331 . . . . 0.0 110.573 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.542 ' N ' ' O ' ' A' ' 29' ' ' GLY . 96.9 mt -77.04 -69.15 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.609 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.411 ' CD ' ' O ' ' A' ' 32' ' ' GLN . 4.9 pp0? -78.88 29.95 0.2 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.584 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.417 ' H ' ' C ' ' A' ' 31' ' ' ILE . 65.3 t0 -112.89 -51.11 2.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.554 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -91.23 -27.03 18.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.548 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.47 ' CB ' HD22 ' A' ' 122' ' ' LEU . . . -99.0 -13.14 20.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.598 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 35' ' ' ALA . . . . . . . . 0 CA--C 1.525 0.683 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo . . . . . 0 N--CA 1.492 1.388 0 CA-C-O 120.805 0.252 . . . . 0.0 112.115 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.422 ' OE1' ' N ' ' A' ' 44' ' ' GLU . 54.4 mp0 -94.1 -11.78 29.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.606 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.532 HD12 ' CG2' ' A' ' 31' ' ' ILE . 0.7 OUTLIER -98.31 61.7 1.45 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.58 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.43 ' O ' ' HB2' ' A' ' 47' ' ' LEU . . . -70.32 138.08 51.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.578 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.43 ' HB2' ' O ' ' A' ' 46' ' ' ALA . 22.6 tp . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.556 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.783 0.325 . . . . 0.0 110.638 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -82.61 -0.66 48.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.574 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 40.9 t -60.68 -39.41 88.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.561 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 27.7 p -82.78 -33.79 27.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.577 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 56.6 tttp -49.9 -54.98 16.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.572 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 6.0 tppt? -59.61 -48.16 82.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.63 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.637 ' O ' HD23 ' A' ' 59' ' ' LEU . 0.9 OUTLIER -61.57 -26.25 67.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.608 179.936 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.6 t -71.41 -35.36 70.97 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.6 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -63.94 -31.66 72.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.629 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 93.8 m -64.28 -37.81 88.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.595 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.472 ' N ' HD12 ' A' ' 63' ' ' LEU . 9.0 mp -75.33 -24.62 57.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.552 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 63.2 tttp -84.27 -36.67 22.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.585 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.453 ' O ' ' OE1' ' A' ' 69' ' ' GLU . 95.0 mtt180 -68.53 -44.42 74.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.57 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 18.9 tt -76.5 -35.12 25.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.545 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.424 ' O ' ' CB ' ' A' ' 71' ' ' ASP . . . -60.93 -45.41 96.61 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.444 ' OD1' ' O ' ' A' ' 68' ' ' ASP . 68.2 t0 -62.73 -34.36 77.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.792 0.329 . . . . 0.0 110.592 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.543 ' OE1' ' N ' ' A' ' 69' ' ' GLU . 3.0 mp0 -79.57 -58.55 3.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.567 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 2.1 mt -55.1 -43.07 73.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.632 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.424 ' CB ' ' O ' ' A' ' 67' ' ' GLY . 38.9 t70 -65.03 -8.73 17.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.58 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.4 t -96.45 7.07 47.41 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.532 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -93.0 111.54 23.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.617 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 97.8 mmm -68.44 -11.09 59.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.523 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -80.43 -67.21 0.79 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.558 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 49.5 tp -59.87 -40.26 88.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.576 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 11.1 tm0? -61.74 -37.97 86.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.613 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 71.7 ttt180 -68.44 -44.94 73.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.582 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.484 ' SD ' HG23 ' A' ' 182' ' ' THR . 74.3 mtp -54.59 -43.93 72.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.525 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.646 ' O ' HG12 ' A' ' 83' ' ' VAL . 84.6 mt -62.34 -23.73 32.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.648 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -85.97 -18.77 31.69 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.572 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -86.44 -15.23 40.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.63 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.867 ' O ' HG13 ' A' ' 83' ' ' VAL . 7.9 p -89.64 82.76 2.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.62 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.404 ' O ' ' O ' ' A' ' 83' ' ' VAL . 53.9 p-10 -40.97 162.09 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.607 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 70.0 p -119.26 120.5 37.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.598 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -149.3 -0.18 0.49 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.537 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.669 ' O ' HG12 ' A' ' 91' ' ' VAL . 44.5 t -175.68 86.86 0.29 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.512 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.6 ' O ' ' HB2' ' A' ' 92' ' ' PHE . 33.3 Cg_endo -67.38 -16.23 47.37 Favored 'Trans proline' 0 C--N 1.305 -1.734 0 C-N-CA 122.782 2.321 . . . . 0.0 112.028 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 21.0 ptt180 -85.53 -35.33 21.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.449 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -77.91 -57.88 3.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.5 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.669 HG12 ' O ' ' A' ' 87' ' ' SER . 10.0 p -57.3 -51.24 71.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.509 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.655 ' N ' HG13 ' A' ' 91' ' ' VAL . 26.3 t80 -45.93 -52.52 11.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.55 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -67.62 -30.66 70.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.516 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 16.2 tpp180 -71.18 -58.12 3.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.541 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.626 HG23 ' N ' ' A' ' 96' ' ' ALA . 27.2 m -59.29 -48.04 88.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.564 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.626 ' N ' HG23 ' A' ' 95' ' ' VAL . . . -54.99 -27.8 46.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.562 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -81.79 -38.93 24.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.575 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.41 ' O ' ' C ' ' A' ' 99' ' ' MET . 99.2 m-20 -63.22 -38.74 92.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.447 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' MET . . . . . 0.41 ' C ' ' O ' ' A' ' 98' ' ' ASP . 64.8 mtt -38.37 -68.84 0.14 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.527 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.579 ' CE1' ' NH2' ' A' ' 109' ' ' ARG . 14.3 p90 -111.3 57.53 0.63 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.598 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.1 t -74.65 -26.84 60.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.585 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ASP . . . . . 0.538 ' O ' ' C ' ' A' ' 103' ' ' GLY . 54.9 p-10 -155.58 -18.38 0.11 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.589 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.538 ' C ' ' O ' ' A' ' 102' ' ' ASP . . . -26.34 -80.71 0.01 OUTLIER Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' ASN . . . . . 0.608 ' O ' ' CG ' ' A' ' 105' ' ' PHE . 9.3 m-20 174.5 34.37 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.791 0.329 . . . . 0.0 110.604 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.608 ' CG ' ' O ' ' A' ' 104' ' ' ASN . 32.3 p90 42.62 29.23 0.15 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.509 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.521 ' O ' ' HB2' ' A' ' 107' ' ' TRP . 27.8 p30 -52.23 -110.41 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.606 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' TRP . . . . . 0.547 ' NE1' HG21 ' A' ' 110' ' ' VAL . 6.8 t90 174.58 -26.19 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.543 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' GLY . . . . . 0.592 ' O ' HG12 ' A' ' 111' ' ' VAL . . . -50.01 -42.34 39.05 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' ARG . . . . . 0.579 ' NH2' ' CE1' ' A' ' 100' ' ' PHE . 0.0 OUTLIER -48.01 -26.09 1.65 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.888 0.375 . . . . 0.0 110.607 -179.946 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.547 HG21 ' NE1' ' A' ' 107' ' ' TRP . 29.1 t -52.49 -57.96 3.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.539 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.592 HG12 ' O ' ' A' ' 108' ' ' GLY . 4.8 p -45.31 -46.75 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.509 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.583 ' N ' HG13 ' A' ' 111' ' ' VAL . . . -58.23 -34.71 70.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.56 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.669 ' O ' HD23 ' A' ' 113' ' ' LEU . 2.0 tt -57.07 -46.8 82.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.576 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -57.32 -44.04 83.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.46 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 91.9 t80 -67.87 -43.58 79.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.577 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.441 ' CE2' HG21 ' A' ' 95' ' ' VAL . 91.8 t80 -59.14 -41.76 89.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.564 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.527 ' O ' HG23 ' A' ' 121' ' ' VAL . . . -71.05 -32.52 69.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.529 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 4.9 t -48.62 -44.19 37.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.581 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.812 ' O ' ' CB ' ' A' ' 123' ' ' LYS . 55.0 mmtt -59.95 -43.58 94.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.616 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 50.8 mt -68.23 -31.01 70.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.512 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.716 HG13 HG23 ' A' ' 133' ' ' ILE . 48.9 t -77.45 -53.42 14.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.488 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.47 HD22 ' CB ' ' A' ' 35' ' ' ALA . 70.5 mt -72.76 -41.1 65.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.567 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.812 ' CB ' ' O ' ' A' ' 119' ' ' LYS . 46.1 tptt -58.06 -41.4 83.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.521 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.502 ' O ' ' OG1' ' A' ' 127' ' ' THR . . . -75.26 -21.78 58.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.499 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 49.0 tp -63.4 -32.09 73.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.56 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 126' ' ' CYS . . . . . 0.53 ' SG ' ' O ' ' A' ' 123' ' ' LYS . 0.1 OUTLIER -83.37 -35.58 25.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.594 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.742 ' O ' ' HB2' ' A' ' 128' ' ' LYS . 45.4 p -53.72 -19.42 4.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.533 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 128' ' ' LYS . . . . . 0.742 ' HB2' ' O ' ' A' ' 127' ' ' THR . 51.8 mttp 87.72 45.37 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.538 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 129' ' ' VAL . . . . . 0.558 ' CG2' ' OG1' ' A' ' 127' ' ' THR . 0.0 OUTLIER -148.22 87.92 5.58 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.511 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 130' ' ' PRO . . . . . 0.405 ' HA ' HG12 ' A' ' 133' ' ' ILE . 37.9 Cg_endo -69.81 -14.6 36.15 Favored 'Trans proline' 0 C--N 1.306 -1.707 0 C-N-CA 122.719 2.279 . . . . 0.0 112.043 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -64.17 -41.77 96.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.421 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 8.5 mp -60.42 -34.37 73.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.447 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.716 HG23 HG13 ' A' ' 121' ' ' VAL . 21.9 mm -56.63 -50.21 74.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.55 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 84.2 mtp180 -69.09 -34.89 75.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.522 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 7.9 m -67.15 -32.01 72.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.449 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 136' ' ' ILE . . . . . 0.419 HG21 ' CG2' ' A' ' 121' ' ' VAL . 46.8 mt -69.78 -58.87 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.465 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 42.1 ttm -46.45 -25.41 0.66 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.534 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -68.75 -40.43 85.3 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 139' ' ' TRP . . . . . 0.505 ' CD1' ' N ' ' A' ' 139' ' ' TRP . 12.7 m0 -66.37 -24.45 66.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.813 0.339 . . . . 0.0 110.531 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 140' ' ' THR . . . . . 0.469 ' OG1' ' N ' ' A' ' 141' ' ' LEU . 23.2 p -75.53 -65.84 0.85 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.56 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 141' ' ' LEU . . . . . 0.469 ' N ' ' OG1' ' A' ' 140' ' ' THR . 52.5 mt -51.74 -33.64 35.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.594 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -65.69 -51.05 62.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.607 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -66.8 -38.85 87.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.57 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.572 HD12 ' HB2' ' A' ' 148' ' ' LEU . 2.0 tp -71.18 -35.43 71.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.552 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 58.9 ttp180 -82.98 -10.69 58.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.561 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -112.07 -4.63 14.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.548 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 147' ' ' ARG . . . . . 1.153 ' O ' ' N ' ' A' ' 149' ' ' LEU . 42.7 mtp180 -142.14 -110.8 0.13 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.535 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 148' ' ' LEU . . . . . 0.797 ' H ' HD22 ' A' ' 148' ' ' LEU . 1.0 OUTLIER -15.52 -27.68 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.602 -179.953 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 149' ' ' LEU . . . . . 1.153 ' N ' ' O ' ' A' ' 147' ' ' ARG . 47.1 tp -49.03 -56.4 9.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.565 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -63.8 -50.75 59.1 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 151' ' ' TRP . . . . . . . . . . . . . 59.7 m95 -66.2 -55.85 14.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.758 0.313 . . . . 0.0 110.548 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 152' ' ' ILE . . . . . 0.695 ' N ' ' O ' ' A' ' 148' ' ' LEU . 10.7 tt -51.37 -34.27 14.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.564 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 46.2 tt0 -67.51 -31.16 71.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.609 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -89.2 -4.44 58.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.538 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -97.57 0.83 48.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.586 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 83.67 24.72 49.01 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 89.82 -160.32 28.65 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 158' ' ' TRP . . . . . 0.408 ' NE1' HD11 ' A' ' 152' ' ' ILE . 53.8 m95 -73.98 -5.64 42.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.795 0.331 . . . . 0.0 110.569 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -60.88 -42.5 98.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.532 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -54.39 -32.16 51.83 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 161' ' ' LEU . . . . . 0.605 ' O ' HD23 ' A' ' 161' ' ' LEU . 2.6 tt -63.02 -53.94 46.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.804 0.335 . . . . 0.0 110.587 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 56.6 tp -67.09 -31.07 71.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.575 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 5.1 t -66.87 -26.2 66.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.496 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 89.9 t80 -76.7 -42.65 40.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.589 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -71.63 48.05 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.559 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -130.96 39.03 1.84 Allowed Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 167' ' ' THR . . . . . 0.998 ' OG1' ' HD2' ' A' ' 168' ' ' PRO . 0.5 OUTLIER -108.39 179.24 0.89 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 120.899 0.38 . . . . 0.0 110.521 -179.938 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 168' ' ' PRO . . . . . 0.998 ' HD2' ' OG1' ' A' ' 167' ' ' THR . 46.5 Cg_endo -72.29 -145.73 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.719 0 C-N-CA 122.781 2.32 . . . . 0.0 112.054 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 169' ' ' THR . . . . . 0.588 ' C ' ' O ' ' A' ' 168' ' ' PRO . 25.7 p -23.38 101.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.605 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 170' ' ' TRP . . . . . 0.683 ' O ' HG22 ' A' ' 173' ' ' VAL . 29.0 p90 -64.9 -18.78 65.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.596 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 171' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -46.83 -14.11 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.582 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 172' ' ' THR . . . . . 0.518 ' O ' HG22 ' A' ' 175' ' ' ILE . 97.9 m -87.03 -29.62 21.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.617 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 173' ' ' VAL . . . . . 0.683 HG22 ' O ' ' A' ' 170' ' ' TRP . 2.0 m -72.07 -45.61 62.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.567 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 174' ' ' THR . . . . . 0.567 ' N ' ' CG2' ' A' ' 173' ' ' VAL . 24.4 m -64.57 -24.91 67.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.576 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 175' ' ' ILE . . . . . 0.518 HG22 ' O ' ' A' ' 172' ' ' THR . 1.8 tt -85.8 -7.42 10.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.536 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 176' ' ' PHE . . . . . 0.489 ' O ' HG12 ' A' ' 180' ' ' VAL . 62.9 t80 -94.68 -60.13 1.77 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.568 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 3.3 m -62.05 -16.73 16.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.576 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 178' ' ' ALA . . . . . 0.618 ' O ' ' OG1' ' A' ' 182' ' ' THR . . . -95.55 -45.9 6.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.614 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -62.39 -26.06 67.57 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 180' ' ' VAL . . . . . 0.7 HG13 ' N ' ' A' ' 181' ' ' LEU . 13.9 p -86.31 -51.73 12.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.811 0.338 . . . . 0.0 110.556 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 181' ' ' LEU . . . . . 0.7 ' N ' HG13 ' A' ' 180' ' ' VAL . 43.1 tp -69.32 -47.94 62.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.569 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 182' ' ' THR . . . . . 0.618 ' OG1' ' O ' ' A' ' 178' ' ' ALA . 26.1 m -50.58 -51.33 49.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.572 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -47.38 -45.72 25.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.574 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 184' ' ' SER . . . . . . . . . . . . . 27.5 t -54.4 -37.85 65.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.644 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 64.5 mt -77.7 -21.69 51.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.527 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 21.3 m -73.26 -44.86 58.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.567 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 187' ' ' ILE . . . . . 0.636 HG23 ' N ' ' A' ' 188' ' ' TRP . 12.5 tt -73.63 -51.7 23.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.572 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 188' ' ' TRP . . . . . 0.636 ' N ' HG23 ' A' ' 187' ' ' ILE . 0.2 OUTLIER -30.74 -56.99 0.21 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.472 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 8.0 mmtt -175.72 128.28 0.24 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.551 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 190' ' ' LYS . . . . . . . . . . . . . 14.5 ptmt -109.87 89.61 3.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.598 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 191' ' ' MET . . . . . . . . . . . . . 84.1 mtp -128.71 136.58 50.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.547 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.813 0 CA-C-O 118.007 -1.441 . . . . 0.0 110.922 -179.969 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.942 ' O ' ' CD1' ' A' ' 19' ' ' ILE . 3.0 p . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.789 0.328 . . . . 0.0 110.391 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.487 ' H ' ' HB2' ' A' ' 15' ' ' SER . 50.6 m -98.69 -17.28 18.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.435 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 64.2 mm-40 -77.67 -48.62 16.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.54 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.481 ' O ' HG23 ' A' ' 22' ' ' THR . 94.5 mt-30 -67.43 -22.58 65.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.567 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.942 ' CD1' ' O ' ' A' ' 15' ' ' SER . 64.5 mt -81.99 -54.76 9.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.614 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 26.5 ttt -53.88 -36.52 62.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.576 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 38.4 mmtm -67.31 -45.96 74.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.53 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.481 HG23 ' O ' ' A' ' 18' ' ' GLN . 66.7 p -72.36 -8.35 54.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.585 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -79.17 -54.1 4.21 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.19 -9.35 59.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.836 0.351 . . . . 0.0 110.536 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.547 ' O ' ' C ' ' A' ' 26' ' ' LEU . 31.6 mt -86.71 -80.45 0.24 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.62 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.547 ' C ' ' O ' ' A' ' 25' ' ' LEU . 44.9 tp -27.11 -65.62 0.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.642 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.415 ' C ' ' N ' ' A' ' 29' ' ' GLY . 64.0 mt -51.32 -57.7 8.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.617 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.408 ' O ' ' NE2' ' A' ' 28' ' ' GLN . 6.4 tm0? -47.65 -17.95 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.557 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.542 ' O ' ' N ' ' A' ' 31' ' ' ILE . . . -88.77 -72.65 1.28 Allowed Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 41.4 t80 -42.28 -18.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.809 0.338 . . . . 0.0 110.571 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.542 ' N ' ' O ' ' A' ' 29' ' ' GLY . 70.7 mt -77.06 -69.13 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.575 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 41.1 tt0 -78.94 30.0 0.2 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.595 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.413 ' H ' ' C ' ' A' ' 31' ' ' ILE . 97.8 m-20 -112.92 -51.05 2.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.606 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 15.7 ptm180 -91.17 -27.02 18.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.62 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.473 ' CB ' HD22 ' A' ' 122' ' ' LEU . . . -99.22 -12.88 20.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.559 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.722 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -179.975 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo . . . . . 0 N--CA 1.49 1.321 0 CA-C-O 120.717 0.216 . . . . 0.0 112.092 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -93.03 -8.66 42.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.616 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.427 HD22 ' HA ' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -107.19 66.19 0.67 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.638 179.95 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -74.27 137.97 43.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.579 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.461 HD12 ' HA ' ' A' ' 47' ' ' LEU . 22.7 tp . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.608 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 43.2 p-10 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.804 0.335 . . . . 0.0 110.546 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -81.39 -0.95 43.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.542 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 68.8 m -61.38 -39.85 92.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.543 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 73.7 p -83.37 -33.8 25.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.529 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 64.4 tttp -49.87 -54.73 17.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.594 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 29.9 ttpt -59.81 -48.07 83.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.601 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.62 ' O ' HD23 ' A' ' 59' ' ' LEU . 0.8 OUTLIER -61.6 -26.13 67.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.601 179.916 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.5 t -71.57 -35.24 70.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.529 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.466 ' CD ' ' NH2' ' A' ' 65' ' ' ARG . 43.6 tt0 -64.18 -31.49 72.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.566 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.417 ' O ' HG22 ' A' ' 66' ' ' ILE . 99.7 m -64.42 -37.76 88.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.548 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.472 ' N ' HD12 ' A' ' 63' ' ' LEU . 9.6 mp -75.47 -24.54 56.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.543 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -84.31 -36.58 22.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.637 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.466 ' NH2' ' CD ' ' A' ' 61' ' ' GLU . 99.4 mtt180 -68.54 -44.56 74.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.528 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.417 HG22 ' O ' ' A' ' 62' ' ' CYS . 20.5 tt -76.37 -35.11 26.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.544 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.425 ' O ' ' CB ' ' A' ' 71' ' ' ASP . . . -61.03 -45.46 96.56 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -62.68 -34.32 76.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.84 0.352 . . . . 0.0 110.601 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 50.6 tp10 -79.64 -58.49 3.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.557 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.21 -43.0 74.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.526 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.425 ' CB ' ' O ' ' A' ' 67' ' ' GLY . 54.7 t0 -65.09 -8.77 18.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.56 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 7.4 t -96.41 7.13 47.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.525 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -92.96 111.48 23.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.566 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 96.8 mmm -68.37 -11.1 59.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.592 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -80.36 -67.28 0.78 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.571 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.6 tp -59.82 -40.37 88.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.523 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 8.3 tm0? -61.74 -37.92 86.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.588 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 72.4 ttt180 -68.57 -44.9 73.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.548 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.432 ' SD ' HG23 ' A' ' 182' ' ' THR . 64.0 mtp -54.49 -43.91 72.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.584 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.643 ' O ' HG12 ' A' ' 83' ' ' VAL . 86.2 mt -62.35 -23.72 32.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.598 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -85.95 -18.81 31.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.627 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -86.37 -15.46 40.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.62 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.874 ' O ' HG13 ' A' ' 83' ' ' VAL . 8.1 p -89.34 82.75 2.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.583 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.423 ' O ' ' O ' ' A' ' 83' ' ' VAL . 56.5 p-10 -40.58 162.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.513 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 75.0 p -119.64 120.01 35.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.659 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -148.95 -0.22 0.52 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.488 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.686 ' O ' HG12 ' A' ' 91' ' ' VAL . 40.4 t -175.82 88.25 0.29 Allowed Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.458 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.5 ' O ' ' CB ' ' A' ' 92' ' ' PHE . 36.7 Cg_endo -68.79 -15.64 40.87 Favored 'Trans proline' 0 C--N 1.306 -1.684 0 C-N-CA 122.793 2.328 . . . . 0.0 112.092 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 15.0 ptt-85 -86.0 -34.19 20.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.551 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -79.3 -57.44 3.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.602 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.686 HG12 ' O ' ' A' ' 87' ' ' SER . 9.7 p -57.51 -51.19 72.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.527 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.654 ' N ' HG13 ' A' ' 91' ' ' VAL . 85.3 t80 -46.17 -52.16 12.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.479 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -67.84 -30.47 69.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.6 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 16.2 tpp180 -71.46 -57.97 3.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.581 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.625 HG23 ' N ' ' A' ' 96' ' ' ALA . 27.5 m -59.34 -48.07 88.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.534 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.625 ' N ' HG23 ' A' ' 95' ' ' VAL . . . -55.15 -27.65 47.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.522 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -81.85 -38.92 24.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.561 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 99' ' ' MET . 99.5 m-20 -63.17 -38.68 92.13 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.53 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' MET . . . . . 0.559 ' HB2' HH21 ' A' ' 109' ' ' ARG . 64.2 mtt -38.42 -68.79 0.14 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.605 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.601 ' CD2' ' O ' ' A' ' 100' ' ' PHE . 16.8 p90 -111.37 57.6 0.63 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.535 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.1 t -74.7 -26.86 60.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.557 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ASP . . . . . 0.532 ' O ' ' C ' ' A' ' 103' ' ' GLY . 55.1 p-10 -155.57 -18.39 0.11 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.533 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.532 ' C ' ' O ' ' A' ' 102' ' ' ASP . . . -26.32 -80.65 0.01 OUTLIER Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' ASN . . . . . 0.608 ' O ' ' CG ' ' A' ' 105' ' ' PHE . 10.9 m-20 174.5 34.38 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.785 0.326 . . . . 0.0 110.514 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.608 ' CG ' ' O ' ' A' ' 104' ' ' ASN . 31.8 p90 42.64 29.07 0.14 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.564 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.519 ' O ' ' HB2' ' A' ' 107' ' ' TRP . 28.4 p30 -52.12 -110.44 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.615 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' TRP . . . . . 0.543 ' NE1' HG21 ' A' ' 110' ' ' VAL . 6.5 t90 174.64 -26.2 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.549 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' GLY . . . . . 0.598 ' O ' HG12 ' A' ' 111' ' ' VAL . . . -50.11 -42.07 39.4 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' ARG . . . . . 0.559 HH21 ' HB2' ' A' ' 99' ' ' MET . 0.0 OUTLIER -48.24 -26.04 1.79 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.756 0.312 . . . . 0.0 110.511 -179.947 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.543 HG21 ' NE1' ' A' ' 107' ' ' TRP . 36.0 t -52.52 -57.94 3.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.536 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.598 HG12 ' O ' ' A' ' 108' ' ' GLY . 4.8 p -45.29 -46.66 3.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.577 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.581 ' N ' HG13 ' A' ' 111' ' ' VAL . . . -58.11 -35.18 71.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.514 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.663 ' O ' HD23 ' A' ' 113' ' ' LEU . 2.0 tt -56.86 -46.7 81.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.566 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' PHE . . . . . 0.45 ' CZ ' ' CG1' ' A' ' 110' ' ' VAL . 9.9 m-85 -57.17 -44.1 83.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.529 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 92.9 t80 -68.07 -43.62 78.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.534 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.451 ' CE2' HG21 ' A' ' 95' ' ' VAL . 93.2 t80 -59.05 -41.81 88.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.541 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.508 ' O ' HG23 ' A' ' 121' ' ' VAL . . . -71.04 -32.5 69.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.52 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 5.6 t -48.64 -44.27 37.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.56 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.808 ' O ' ' CB ' ' A' ' 123' ' ' LYS . 56.4 mmtt -59.85 -43.68 94.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.566 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 52.2 mt -68.19 -30.95 70.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.582 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.732 HG13 HG23 ' A' ' 133' ' ' ILE . 54.0 t -77.43 -53.14 15.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.638 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.473 HD22 ' CB ' ' A' ' 35' ' ' ALA . 74.0 mt -73.25 -40.81 64.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.517 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.808 ' CB ' ' O ' ' A' ' 119' ' ' LYS . 14.5 tmtt? -58.22 -41.16 83.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.543 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -75.71 -20.81 58.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.607 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 5.0 tp -64.15 -30.87 71.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.583 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' CYS . . . . . 0.467 ' SG ' ' N ' ' A' ' 127' ' ' THR . 14.6 p -84.22 -35.96 23.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.616 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.551 ' O ' ' CB ' ' A' ' 128' ' ' LYS . 52.3 m -54.26 -16.19 2.0 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.564 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 128' ' ' LYS . . . . . 0.551 ' CB ' ' O ' ' A' ' 127' ' ' THR . 44.1 tttp 84.46 46.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.555 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 129' ' ' VAL . . . . . 0.492 HG23 ' O ' ' A' ' 129' ' ' VAL . 15.5 m -148.18 88.7 5.38 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.58 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -71.17 -14.48 31.68 Favored 'Trans proline' 0 C--N 1.304 -1.769 0 C-N-CA 122.793 2.329 . . . . 0.0 112.048 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -64.59 -41.02 96.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.533 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 9.2 mp -61.08 -33.99 74.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.528 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.732 HG23 HG13 ' A' ' 121' ' ' VAL . 21.4 mm -56.99 -49.98 77.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.48 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 82.6 mtp180 -69.33 -34.68 74.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.493 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 7.2 m -67.34 -31.96 72.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.453 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 136' ' ' ILE . . . . . 0.415 HG21 ' CG2' ' A' ' 121' ' ' VAL . 46.6 mt -69.71 -58.7 4.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.571 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 137' ' ' MET . . . . . 0.492 ' CE ' HD11 ' A' ' 31' ' ' ILE . 28.5 mmt -46.62 -25.53 0.73 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.493 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -68.61 -40.5 85.87 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 139' ' ' TRP . . . . . 0.519 ' CD1' ' N ' ' A' ' 139' ' ' TRP . 11.3 m0 -66.31 -24.53 66.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.791 0.329 . . . . 0.0 110.478 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 140' ' ' THR . . . . . 0.478 ' OG1' ' N ' ' A' ' 141' ' ' LEU . 20.4 p -75.48 -65.84 0.85 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.556 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 141' ' ' LEU . . . . . 0.478 ' N ' ' OG1' ' A' ' 140' ' ' THR . 52.9 mt -51.78 -33.58 35.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.561 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -65.81 -51.02 62.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.532 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 143' ' ' PHE . . . . . 0.432 ' O ' ' HB2' ' A' ' 147' ' ' ARG . 5.6 t80 -66.8 -38.93 87.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.57 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.566 HD12 ' HB2' ' A' ' 148' ' ' LEU . 1.7 tp -71.01 -35.6 72.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.532 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 58.8 ttp180 -82.96 -10.63 58.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.593 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 69.2 mm-40 -112.05 -4.59 14.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.602 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 147' ' ' ARG . . . . . 1.152 ' O ' ' N ' ' A' ' 149' ' ' LEU . 11.9 mtp180 -142.19 -110.89 0.13 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.576 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 148' ' ' LEU . . . . . 0.812 ' H ' HD22 ' A' ' 148' ' ' LEU . 1.0 OUTLIER -15.44 -27.74 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.553 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 149' ' ' LEU . . . . . 1.152 ' N ' ' O ' ' A' ' 147' ' ' ARG . 1.1 tt -49.14 -56.23 9.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.539 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -63.92 -50.52 60.4 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 151' ' ' TRP . . . . . . . . . . . . . 99.2 m95 -66.47 -55.68 14.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.785 0.326 . . . . 0.0 110.552 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 152' ' ' ILE . . . . . 0.697 ' N ' ' O ' ' A' ' 148' ' ' LEU . 10.3 tt -51.41 -34.31 15.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.538 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 153' ' ' GLN . . . . . 0.419 ' CD ' ' CD2' ' A' ' 149' ' ' LEU . 6.9 mt-30 -67.42 -31.4 71.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.591 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -88.81 -4.7 58.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.62 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -97.46 0.84 48.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.581 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 83.56 24.72 49.48 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 89.88 -160.4 28.64 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.816 -0.914 . . . . 0.0 110.816 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 158' ' ' TRP . . . . . 0.429 ' CD1' HD11 ' A' ' 152' ' ' ILE . 39.4 m95 -73.95 -5.59 42.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.888 0.375 . . . . 0.0 110.651 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 67.4 t0 -60.93 -42.41 98.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.619 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -54.41 -32.26 52.07 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 161' ' ' LEU . . . . . 0.579 ' O ' HD23 ' A' ' 161' ' ' LEU . 2.1 tt -62.85 -54.0 45.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.864 0.364 . . . . 0.0 110.624 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 51.2 tp -67.12 -31.06 71.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.52 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 5.0 t -66.81 -26.37 66.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.537 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 93.9 t80 -76.46 -42.67 42.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.588 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -71.7 47.92 0.14 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.599 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -130.8 39.12 1.83 Allowed Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 167' ' ' THR . . . . . 1.063 ' OG1' ' HD2' ' A' ' 168' ' ' PRO . 0.6 OUTLIER -108.61 -179.67 0.72 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 120.912 0.387 . . . . 0.0 110.567 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 168' ' ' PRO . . . . . 1.063 ' HD2' ' OG1' ' A' ' 167' ' ' THR . 55.2 Cg_endo -73.73 -146.35 0.03 OUTLIER 'Trans proline' 0 C--N 1.305 -1.733 0 C-N-CA 122.811 2.34 . . . . 0.0 112.12 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 169' ' ' THR . . . . . 0.595 ' C ' ' O ' ' A' ' 168' ' ' PRO . 21.4 p -22.29 101.03 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.618 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 170' ' ' TRP . . . . . 0.688 ' O ' HG22 ' A' ' 173' ' ' VAL . 27.3 p90 -64.69 -18.62 65.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.53 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 171' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.26 -14.11 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.53 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 172' ' ' THR . . . . . 0.522 ' O ' HG22 ' A' ' 175' ' ' ILE . 4.6 m -86.92 -29.54 22.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.554 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 173' ' ' VAL . . . . . 0.688 HG22 ' O ' ' A' ' 170' ' ' TRP . 2.0 m -72.15 -45.7 61.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.462 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 174' ' ' THR . . . . . 0.566 ' N ' ' CG2' ' A' ' 173' ' ' VAL . 25.0 m -64.53 -24.94 67.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.554 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 175' ' ' ILE . . . . . 0.522 HG22 ' O ' ' A' ' 172' ' ' THR . 1.7 tt -85.77 -7.43 10.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.587 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 176' ' ' PHE . . . . . 0.489 ' O ' HG12 ' A' ' 180' ' ' VAL . 63.4 t80 -94.65 -60.14 1.77 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.529 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 3.2 m -62.05 -16.72 16.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.553 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 178' ' ' ALA . . . . . 0.621 ' O ' ' OG1' ' A' ' 182' ' ' THR . . . -95.55 -45.93 6.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.587 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -62.29 -26.16 67.51 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 180' ' ' VAL . . . . . 0.699 HG13 ' N ' ' A' ' 181' ' ' LEU . 14.0 p -86.32 -51.66 12.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.84 0.352 . . . . 0.0 110.588 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 181' ' ' LEU . . . . . 0.699 ' N ' HG13 ' A' ' 180' ' ' VAL . 45.9 tp -69.35 -47.97 62.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.549 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 182' ' ' THR . . . . . 0.621 ' OG1' ' O ' ' A' ' 178' ' ' ALA . 26.3 m -50.5 -51.4 47.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.536 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -47.33 -45.74 24.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.558 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 184' ' ' SER . . . . . . . . . . . . . 27.1 t -54.37 -37.92 65.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.595 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 58.3 mt -77.66 -21.69 51.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.591 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 21.3 m -73.21 -44.87 58.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.571 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 187' ' ' ILE . . . . . 0.636 HG23 ' N ' ' A' ' 188' ' ' TRP . 12.3 tt -73.66 -51.59 24.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.57 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 188' ' ' TRP . . . . . 0.636 ' N ' HG23 ' A' ' 187' ' ' ILE . 0.2 OUTLIER -30.8 -56.9 0.22 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.513 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 7.8 mmtt -175.8 128.24 0.24 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.585 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 190' ' ' LYS . . . . . . . . . . . . . 17.7 pttm -109.87 89.61 3.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.545 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 191' ' ' MET . . . . . . . . . . . . . 82.3 mtp -128.6 136.55 50.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.559 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.738 0 CA-C-O 117.968 -1.462 . . . . 0.0 110.982 179.941 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 88.6 p . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.814 0.34 . . . . 0.0 110.528 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 70.0 m -74.88 -6.95 51.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.548 -151.755 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -92.85 -47.3 7.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.572 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 44.4 tp60 -64.09 -27.93 69.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.566 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 85.2 mt -79.04 -53.26 13.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.483 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.456 ' SD ' ' C ' ' A' ' 20' ' ' MET . 2.1 tmt? -55.65 -35.85 66.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.466 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.443 ' O ' ' HB2' ' A' ' 25' ' ' LEU . 16.9 ttmm -68.08 -45.11 74.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.48 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.437 HG22 ' O ' ' A' ' 22' ' ' THR . 37.7 m -72.82 -9.37 58.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.572 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -78.57 -53.83 4.52 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.568 ' O ' ' NE2' ' A' ' 28' ' ' GLN . . . -78.14 -9.47 59.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.885 0.374 . . . . 0.0 110.453 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.551 ' O ' ' C ' ' A' ' 26' ' ' LEU . 1.7 mp -86.96 -80.4 0.25 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.482 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.551 ' C ' ' O ' ' A' ' 25' ' ' LEU . 1.2 tt -27.11 -65.61 0.07 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.539 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.841 ' O ' HG13 ' A' ' 31' ' ' ILE . 0.4 OUTLIER -51.38 -58.34 6.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.541 179.922 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.64 ' HA ' HD12 ' A' ' 31' ' ' ILE . 0.4 OUTLIER -47.0 -17.44 0.05 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.427 179.922 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.564 ' O ' ' N ' ' A' ' 31' ' ' ILE . . . -89.45 -73.39 1.28 Allowed Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.871 -0.892 . . . . 0.0 110.871 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 44.4 t80 -41.59 -18.77 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.846 0.355 . . . . 0.0 110.48 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.841 HG13 ' O ' ' A' ' 27' ' ' LEU . 74.7 mt -76.96 -69.95 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.47 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.687 ' CB ' HD13 ' A' ' 45' ' ' LEU . 16.7 pt20 -78.41 30.48 0.18 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.567 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.423 ' H ' ' C ' ' A' ' 31' ' ' ILE . 67.2 t0 -113.41 -51.13 2.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.517 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 -91.32 -26.92 18.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.639 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.474 ' CB ' HD22 ' A' ' 122' ' ' LEU . . . -98.89 -13.1 20.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.601 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.664 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.568 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo . . . . . 0 N--CA 1.491 1.365 0 CA-C-O 120.801 0.25 . . . . 0.0 112.09 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -84.21 -12.58 54.58 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.526 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.745 ' CD2' HG22 ' A' ' 31' ' ' ILE . 0.0 OUTLIER -97.45 65.25 1.92 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.579 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -76.95 135.96 38.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.555 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.589 ' N ' HD23 ' A' ' 47' ' ' LEU . 1.4 pt? . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.57 179.152 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.777 0.323 . . . . 0.0 110.575 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -86.04 -1.98 57.88 Favored 'General case' 0 C--N 1.347 0.477 0 O-C-N 120.018 -1.676 . . . . 0.0 110.497 -176.609 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 70.5 m -59.23 -39.99 84.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.562 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 74.3 p -81.61 -34.02 31.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.533 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 58.4 mmtt -50.18 -54.89 17.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.553 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 30.3 ttpt -59.84 -47.73 84.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.567 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.3 mt -61.88 -26.53 68.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.64 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.6 t -71.15 -35.4 71.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.546 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -63.81 -31.88 73.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.525 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.431 ' O ' HG22 ' A' ' 66' ' ' ILE . 94.5 m -64.07 -37.88 89.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.586 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.412 ' N ' HD12 ' A' ' 63' ' ' LEU . 7.6 mp -75.24 -24.56 57.69 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.597 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -84.4 -36.47 22.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.572 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.44 ' O ' ' OE2' ' A' ' 69' ' ' GLU . 99.7 mtt180 -68.76 -44.35 73.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.473 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.431 HG22 ' O ' ' A' ' 62' ' ' CYS . 20.5 tt -76.62 -35.04 24.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.501 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.43 ' O ' ' CB ' ' A' ' 71' ' ' ASP . . . -61.03 -45.43 96.63 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.951 -0.859 . . . . 0.0 110.951 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 47.6 t0 -62.86 -34.18 76.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.792 0.33 . . . . 0.0 110.591 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.544 ' OE1' ' N ' ' A' ' 69' ' ' GLU . 0.3 OUTLIER -79.62 -58.84 2.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.525 179.924 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -54.81 -43.27 72.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.481 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.43 ' CB ' ' O ' ' A' ' 67' ' ' GLY . 38.9 t70 -64.97 -8.61 16.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.623 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.7 t -96.65 7.31 46.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.499 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -93.27 111.28 22.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.614 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 8.7 ptm -67.92 -11.73 59.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.582 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 80.3 tt0 -79.93 -67.28 0.78 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.595 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 8.1 tp -59.8 -40.29 87.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.601 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.717 HE22 ' HZ2' ' A' ' 119' ' ' LYS . 69.4 tp60 -61.92 -37.77 85.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.477 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 75.1 ttt180 -68.66 -44.73 73.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.517 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.478 ' SD ' HG23 ' A' ' 182' ' ' THR . 73.4 mtp -54.69 -43.94 72.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.566 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.651 ' O ' HG12 ' A' ' 83' ' ' VAL . 83.7 mt -62.18 -24.16 33.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.637 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -85.34 -19.03 32.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.538 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -86.4 -15.5 40.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.593 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.852 ' O ' HG13 ' A' ' 83' ' ' VAL . 8.1 p -89.61 84.39 2.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.56 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 55.0 p-10 -44.52 159.97 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.628 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.444 ' O ' ' OD1' ' A' ' 86' ' ' ASP . 66.9 p -116.56 127.69 54.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.586 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.444 ' OD1' ' O ' ' A' ' 85' ' ' THR . 69.1 m-20 -156.86 1.7 0.13 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.63 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.456 ' O ' HG12 ' A' ' 91' ' ' VAL . 37.9 t -175.87 71.55 0.26 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.603 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.582 ' O ' ' CB ' ' A' ' 92' ' ' PHE . 2.7 Cg_endo -49.96 -27.44 16.37 Favored 'Trans proline' 0 C--N 1.305 -1.755 0 C-N-CA 122.767 2.312 . . . . 0.0 111.994 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.502 ' CG ' ' N ' ' A' ' 90' ' ' GLU . 34.5 ptt-85 -75.27 -44.31 46.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.592 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.502 ' N ' ' CG ' ' A' ' 89' ' ' ARG . 94.2 mt-10 -67.02 -62.85 1.22 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.548 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.705 HG13 ' N ' ' A' ' 92' ' ' PHE . 10.5 p -52.97 -54.53 16.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.518 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.705 ' N ' HG13 ' A' ' 91' ' ' VAL . 82.8 t80 -42.67 -55.83 3.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.589 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -64.73 -31.71 73.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.554 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 11.6 tpp85 -69.9 -59.09 3.14 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.495 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.638 HG23 ' N ' ' A' ' 96' ' ' ALA . 27.5 m -58.54 -48.71 84.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.542 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.638 ' N ' HG23 ' A' ' 95' ' ' VAL . . . -54.18 -27.74 35.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.588 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -81.93 -39.19 24.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.547 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.413 ' O ' ' C ' ' A' ' 99' ' ' MET . 99.8 m-20 -62.78 -38.97 92.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.612 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' MET . . . . . 0.544 ' HB2' HH21 ' A' ' 109' ' ' ARG . 63.5 mtt -37.97 -69.28 0.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.568 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.604 ' CD2' ' O ' ' A' ' 100' ' ' PHE . 16.3 p90 -111.07 57.84 0.62 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.521 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.2 t -74.91 -26.88 59.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.563 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ASP . . . . . 0.538 ' O ' ' C ' ' A' ' 103' ' ' GLY . 55.3 p-10 -155.55 -18.47 0.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.547 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.538 ' C ' ' O ' ' A' ' 102' ' ' ASP . . . -26.19 -80.76 0.01 OUTLIER Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' ASN . . . . . 0.61 ' O ' ' CG ' ' A' ' 105' ' ' PHE . 8.3 m-20 174.48 34.21 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.764 0.316 . . . . 0.0 110.523 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.61 ' CG ' ' O ' ' A' ' 104' ' ' ASN . 28.4 p90 42.72 29.5 0.17 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.554 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.531 ' O ' ' HB2' ' A' ' 107' ' ' TRP . 28.5 p30 -52.29 -110.21 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.53 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' TRP . . . . . 0.531 ' HB2' ' O ' ' A' ' 106' ' ' ASN . 6.7 t90 174.25 -26.14 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.505 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' GLY . . . . . 0.587 ' O ' HG12 ' A' ' 111' ' ' VAL . . . -50.37 -42.07 41.58 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' ARG . . . . . 0.544 HH21 ' HB2' ' A' ' 99' ' ' MET . 0.0 OUTLIER -48.31 -25.36 1.53 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.808 0.337 . . . . 0.0 110.586 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.52 HG21 ' NE1' ' A' ' 107' ' ' TRP . 36.5 t -53.3 -57.61 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.566 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.587 HG12 ' O ' ' A' ' 108' ' ' GLY . 4.7 p -45.51 -46.82 4.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.567 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.581 ' N ' HG13 ' A' ' 111' ' ' VAL . . . -58.28 -34.1 70.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.534 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.697 ' O ' HD23 ' A' ' 113' ' ' LEU . 2.2 tt -57.87 -46.01 85.47 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.519 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' PHE . . . . . 0.411 ' CD2' ' HG ' ' A' ' 27' ' ' LEU . 3.2 m-85 -58.02 -43.4 86.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.58 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 89.8 t80 -68.76 -42.19 77.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.538 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.455 ' CE2' HG21 ' A' ' 95' ' ' VAL . 92.3 t80 -60.23 -41.31 92.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.551 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.551 ' O ' HG23 ' A' ' 121' ' ' VAL . . . -72.03 -31.88 66.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.465 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 5.8 t -49.28 -42.62 41.57 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.519 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.818 ' O ' ' CB ' ' A' ' 123' ' ' LYS . 57.3 mmtt -61.87 -43.45 98.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.546 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 50.2 mt -68.44 -28.86 67.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.377 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.63 HG13 HG23 ' A' ' 133' ' ' ILE . 59.3 t -79.12 -54.1 12.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.385 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.474 HD22 ' CB ' ' A' ' 35' ' ' ALA . 68.5 mt -72.48 -40.91 66.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.482 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.818 ' CB ' ' O ' ' A' ' 119' ' ' LYS . 19.8 ttpp -58.13 -40.61 81.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.418 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.478 ' O ' ' OG1' ' A' ' 127' ' ' THR . . . -76.58 -19.83 57.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.458 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 5.6 tt -65.43 -31.03 71.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.575 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 126' ' ' CYS . . . . . 0.465 ' SG ' ' N ' ' A' ' 127' ' ' THR . 1.6 p -84.92 -33.54 22.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.545 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.664 ' O ' ' HB2' ' A' ' 128' ' ' LYS . 35.8 p -56.23 -21.69 25.0 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.616 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 128' ' ' LYS . . . . . 0.664 ' HB2' ' O ' ' A' ' 127' ' ' THR . 17.4 mtpp 86.39 53.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.602 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 129' ' ' VAL . . . . . 0.417 HG13 ' O ' ' A' ' 128' ' ' LYS . 0.1 OUTLIER -154.55 69.65 5.94 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.608 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 130' ' ' PRO . . . . . 0.406 ' HA ' HG12 ' A' ' 133' ' ' ILE . 1.7 Cg_endo -48.42 -27.91 10.86 Favored 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 122.87 2.38 . . . . 0.0 112.119 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 131' ' ' GLU . . . . . 0.531 ' O ' HG23 ' A' ' 135' ' ' THR . 80.9 tt0 -51.81 -52.05 51.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.639 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.528 ' HA ' ' OG1' ' A' ' 135' ' ' THR . 8.6 mp -50.32 -35.88 29.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.618 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.63 HG23 HG13 ' A' ' 121' ' ' VAL . 22.5 mm -56.5 -51.0 70.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.785 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 93.9 mtt180 -68.89 -35.23 76.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.604 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 135' ' ' THR . . . . . 0.531 HG23 ' O ' ' A' ' 131' ' ' GLU . 69.1 p -66.21 -32.05 73.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.652 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 136' ' ' ILE . . . . . 0.407 HG21 ' CG2' ' A' ' 121' ' ' VAL . 47.2 mt -69.51 -59.09 3.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.591 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 78.6 mtm -46.06 -25.75 0.63 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.632 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -68.31 -40.73 87.17 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 139' ' ' TRP . . . . . 0.563 ' CD1' ' N ' ' A' ' 139' ' ' TRP . 9.3 m0 -66.12 -24.57 66.71 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.766 0.317 . . . . 0.0 110.599 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 140' ' ' THR . . . . . 0.471 ' OG1' ' N ' ' A' ' 141' ' ' LEU . 22.9 p -75.42 -65.66 0.86 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.515 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 141' ' ' LEU . . . . . 0.471 ' N ' ' OG1' ' A' ' 140' ' ' THR . 53.8 mt -51.91 -33.58 37.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.581 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -65.81 -51.0 62.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.52 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 143' ' ' PHE . . . . . 0.413 ' O ' ' HB2' ' A' ' 147' ' ' ARG . 5.2 t80 -66.88 -38.91 87.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.543 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.564 HD12 ' HB2' ' A' ' 148' ' ' LEU . 2.0 tp -70.94 -35.57 72.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.6 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 59.0 ttp180 -82.74 -11.14 58.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.537 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -111.67 -4.83 14.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.56 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 147' ' ' ARG . . . . . 1.146 ' O ' ' N ' ' A' ' 149' ' ' LEU . 12.1 mtp180 -141.74 -110.56 0.13 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.554 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 148' ' ' LEU . . . . . 0.795 ' H ' HD22 ' A' ' 148' ' ' LEU . 1.0 OUTLIER -16.05 -27.01 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.612 -179.896 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 149' ' ' LEU . . . . . 1.146 ' N ' ' O ' ' A' ' 147' ' ' ARG . 48.5 tp -49.72 -55.95 12.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.545 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -64.11 -50.71 58.63 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 151' ' ' TRP . . . . . . . . . . . . . 99.6 m95 -66.11 -55.98 13.73 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.772 0.32 . . . . 0.0 110.501 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 152' ' ' ILE . . . . . 0.685 ' N ' ' O ' ' A' ' 148' ' ' LEU . 10.8 tt -51.32 -34.03 14.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.453 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 47.4 tt0 -67.63 -31.29 71.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.56 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -89.23 -4.01 58.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.488 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -98.12 0.97 47.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.623 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 83.42 24.36 51.17 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 89.89 -160.02 28.34 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . 59.1 m95 -74.22 -5.47 42.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.82 0.343 . . . . 0.0 110.556 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -61.09 -42.47 98.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.518 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -54.69 -31.54 53.46 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 161' ' ' LEU . . . . . 0.588 ' O ' HD23 ' A' ' 161' ' ' LEU . 2.1 tt -63.55 -53.49 50.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.812 0.339 . . . . 0.0 110.611 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 51.6 tp -67.95 -30.28 69.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.55 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 5.5 t -68.11 -23.76 64.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.629 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 91.1 t80 -80.09 -41.02 26.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.634 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -71.49 50.68 0.17 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.57 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -135.9 42.64 1.31 Allowed Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 167' ' ' THR . . . . . 0.643 ' O ' ' O ' ' A' ' 168' ' ' PRO . 0.5 OUTLIER -111.57 161.57 24.88 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 120.883 0.373 . . . . 0.0 110.534 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 168' ' ' PRO . . . . . 0.643 ' O ' ' O ' ' A' ' 167' ' ' THR . 1.4 Cg_endo -47.72 -136.62 0.0 OUTLIER 'Trans proline' 0 C--N 1.306 -1.707 0 C-N-CA 122.752 2.301 . . . . 0.0 112.074 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 169' ' ' THR . . . . . 0.468 HG23 ' H ' ' A' ' 169' ' ' THR . 10.6 p -38.43 114.15 0.35 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.613 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 170' ' ' TRP . . . . . 0.718 ' O ' HG22 ' A' ' 173' ' ' VAL . 8.3 p90 -71.79 -18.12 62.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.576 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 171' ' ' GLN . . . . . 0.4 ' O ' HD12 ' A' ' 175' ' ' ILE . 0.0 OUTLIER -47.31 -15.89 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.565 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 172' ' ' THR . . . . . 0.462 ' N ' ' C ' ' A' ' 170' ' ' TRP . 4.8 m -85.26 -29.45 24.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.543 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 173' ' ' VAL . . . . . 0.718 HG22 ' O ' ' A' ' 170' ' ' TRP . 2.0 m -72.36 -45.6 59.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.614 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 174' ' ' THR . . . . . 0.57 ' N ' ' CG2' ' A' ' 173' ' ' VAL . 24.9 m -64.5 -25.12 67.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.594 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 175' ' ' ILE . . . . . 0.554 HG22 ' O ' ' A' ' 175' ' ' ILE . 90.7 mt -85.59 -7.5 10.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.608 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 176' ' ' PHE . . . . . 0.486 ' O ' HG12 ' A' ' 180' ' ' VAL . 63.9 t80 -94.66 -59.91 1.82 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.536 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 3.1 m -62.35 -16.52 16.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.566 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 178' ' ' ALA . . . . . 0.624 ' O ' ' OG1' ' A' ' 182' ' ' THR . . . -95.77 -45.8 6.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.546 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -62.66 -25.52 67.45 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.909 -0.877 . . . . 0.0 110.909 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 180' ' ' VAL . . . . . 0.696 HG13 ' N ' ' A' ' 181' ' ' LEU . 13.7 p -86.78 -51.51 12.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.782 0.325 . . . . 0.0 110.526 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 181' ' ' LEU . . . . . 0.696 ' N ' HG13 ' A' ' 180' ' ' VAL . 43.3 tp -69.64 -47.82 62.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.626 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 182' ' ' THR . . . . . 0.624 ' OG1' ' O ' ' A' ' 178' ' ' ALA . 25.9 m -50.51 -51.62 45.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.529 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -47.28 -45.74 24.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.498 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 184' ' ' SER . . . . . . . . . . . . . 28.2 t -54.39 -37.77 65.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.557 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 63.9 mt -77.72 -21.65 51.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.515 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 21.2 m -73.27 -44.98 58.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.541 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 187' ' ' ILE . . . . . 0.644 HG23 ' N ' ' A' ' 188' ' ' TRP . 12.6 tt -73.59 -51.86 23.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.586 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 188' ' ' TRP . . . . . 0.644 ' N ' HG23 ' A' ' 187' ' ' ILE . 0.2 OUTLIER -30.39 -57.33 0.2 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.542 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 8.0 mmtt -175.4 128.42 0.27 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.654 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 190' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.87 89.61 3.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.5 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 191' ' ' MET . . . . . . . . . . . . . 92.6 mtp -128.67 136.51 50.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.573 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.809 0 CA-C-O 117.904 -1.498 . . . . 0.0 110.94 179.96 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.95 ' O ' HD12 ' A' ' 19' ' ' ILE . 1.3 p . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.751 0.31 . . . . 0.0 110.542 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 36.2 m -92.31 -21.3 20.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.617 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.1 mm-40 -93.67 -51.12 5.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.612 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -52.33 -36.99 54.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.656 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.95 HD12 ' O ' ' A' ' 15' ' ' SER . 81.8 mt -71.81 -49.17 47.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.654 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.445 ' SD ' ' C ' ' A' ' 20' ' ' MET . 2.1 tmt? -59.25 -36.4 75.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.807 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -68.04 -42.78 80.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.747 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 84.7 m -73.03 -16.46 61.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.665 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -72.31 -54.54 7.72 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.74 -11.04 59.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.733 0.302 . . . . 0.0 110.67 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.666 ' C ' HD23 ' A' ' 25' ' ' LEU . 5.9 tt -86.49 -77.19 0.32 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.624 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.518 ' C ' ' O ' ' A' ' 25' ' ' LEU . 49.4 tp -30.37 -63.88 0.13 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.598 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.7 tp -53.02 -55.86 20.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.592 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.426 ' O ' ' OE1' ' A' ' 28' ' ' GLN . 7.5 tp-100 -49.21 -17.99 0.3 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.569 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.524 ' O ' ' N ' ' A' ' 31' ' ' ILE . . . -88.6 -72.03 1.27 Allowed Glycine 0 CA--C 1.523 0.578 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -42.7 -18.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.75 0.31 . . . . 0.0 110.506 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.524 ' N ' ' O ' ' A' ' 29' ' ' GLY . 87.0 mt -77.02 -68.76 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.577 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -79.17 29.8 0.22 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.572 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.41 ' H ' ' C ' ' A' ' 31' ' ' ILE . 68.4 t0 -112.84 -50.95 2.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.54 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 -91.31 -26.83 18.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.582 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.47 ' CB ' HD22 ' A' ' 122' ' ' LEU . . . -99.17 -12.98 19.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.574 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.682 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.951 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo . . . . . 0 N--CA 1.491 1.366 0 CA-C-O 120.792 0.247 . . . . 0.0 112.124 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.479 ' CD ' HD11 ' A' ' 125' ' ' LEU . 28.7 mt-10 -94.06 -10.76 32.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.511 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 1.031 HD22 ' N ' ' A' ' 45' ' ' LEU . 0.4 OUTLIER -102.73 64.62 0.88 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.544 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.801 ' O ' ' CB ' ' A' ' 47' ' ' LEU . . . -71.95 137.57 47.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.573 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.801 ' CB ' ' O ' ' A' ' 46' ' ' ALA . 35.2 tp . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.57 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.437 ' OD1' ' N ' ' A' ' 54' ' ' ALA . 41.6 t0 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.808 0.337 . . . . 0.0 110.534 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.437 ' N ' ' OD1' ' A' ' 53' ' ' ASP . . . -82.48 -3.57 56.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.554 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 38.7 t -57.63 -40.05 78.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.516 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -81.37 -33.76 32.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.525 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 58.8 mmtt -50.69 -54.6 21.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.609 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 30.5 ttpt -60.14 -47.48 85.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.558 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.641 ' O ' HD23 ' A' ' 59' ' ' LEU . 0.9 OUTLIER -62.14 -26.39 68.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.563 179.944 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.7 t -71.3 -35.53 71.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.512 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -63.64 -31.82 73.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.635 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.442 ' O ' HG22 ' A' ' 66' ' ' ILE . 92.7 m -64.18 -37.89 89.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.557 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.485 ' N ' HD12 ' A' ' 63' ' ' LEU . 8.9 mp -75.27 -24.66 57.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.662 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -84.28 -36.63 22.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.577 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.441 ' O ' ' OE2' ' A' ' 69' ' ' GLU . 99.7 mtt180 -68.43 -44.48 74.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.592 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.442 HG22 ' O ' ' A' ' 62' ' ' CYS . 20.7 tt -76.6 -34.99 24.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.542 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.426 ' O ' ' CB ' ' A' ' 71' ' ' ASP . . . -61.01 -45.36 96.77 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.441 ' OD1' ' O ' ' A' ' 68' ' ' ASP . 68.3 t0 -62.84 -34.27 76.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.667 0.27 . . . . 0.0 110.525 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.551 ' OE1' ' N ' ' A' ' 69' ' ' GLU . 0.3 OUTLIER -79.63 -58.49 3.16 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.597 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.19 -43.05 74.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.552 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.426 ' CB ' ' O ' ' A' ' 67' ' ' GLY . 38.9 t70 -65.07 -8.72 17.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.593 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.6 t -96.44 7.08 47.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.565 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -93.0 111.42 23.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.567 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 98.0 mmm -68.26 -11.15 58.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.585 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -80.4 -67.23 0.79 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.587 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 7.5 tp -59.86 -40.26 87.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.569 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 8.8 tm0? -61.83 -37.88 86.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.587 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 71.3 ttt180 -68.51 -44.98 73.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.568 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.485 ' SD ' HG23 ' A' ' 182' ' ' THR . 73.8 mtp -54.42 -43.92 71.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.575 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.644 ' O ' HG12 ' A' ' 83' ' ' VAL . 84.1 mt -62.42 -23.68 32.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.61 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -86.04 -18.74 31.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.526 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -86.37 -15.52 40.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.585 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.881 ' O ' HG13 ' A' ' 83' ' ' VAL . 7.4 p -89.36 82.89 2.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.562 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.413 ' O ' ' O ' ' A' ' 83' ' ' VAL . 53.7 p-10 -40.81 162.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.531 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 64.1 p -119.51 119.66 34.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.599 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 55.7 p-10 -148.24 -0.85 0.57 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.535 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.682 ' O ' HG12 ' A' ' 91' ' ' VAL . 34.1 t -175.31 87.79 0.3 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.548 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.507 ' O ' ' CB ' ' A' ' 92' ' ' PHE . 35.2 Cg_endo -67.89 -16.47 45.67 Favored 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.772 2.315 . . . . 0.0 112.11 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 15.0 ptt-85 -85.15 -35.12 21.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.497 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -78.16 -58.07 3.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.507 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.682 HG12 ' O ' ' A' ' 87' ' ' SER . 9.5 p -56.96 -51.55 67.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.524 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.661 ' N ' HG13 ' A' ' 91' ' ' VAL . 85.6 t80 -45.75 -52.57 10.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.517 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -67.63 -30.51 70.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.541 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.75 ' NE ' ' HE1' ' A' ' 188' ' ' TRP . 20.1 ttp180 -71.32 -57.81 4.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.597 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.622 HG23 ' N ' ' A' ' 96' ' ' ALA . 28.4 m -59.67 -48.13 88.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.52 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.622 ' N ' HG23 ' A' ' 95' ' ' VAL . . . -54.93 -27.69 45.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.573 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -81.92 -38.87 24.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.513 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.41 ' O ' ' C ' ' A' ' 99' ' ' MET . 99.8 m-20 -63.09 -38.8 92.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.54 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' MET . . . . . 0.535 ' HB2' HH21 ' A' ' 109' ' ' ARG . 64.1 mtt -38.24 -69.0 0.13 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.548 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.604 ' CD2' ' O ' ' A' ' 100' ' ' PHE . 16.6 p90 -111.17 57.55 0.62 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.56 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.3 t -74.68 -26.73 60.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.665 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ASP . . . . . 0.532 ' O ' ' C ' ' A' ' 103' ' ' GLY . 54.9 p-10 -155.67 -18.37 0.11 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.508 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.532 ' C ' ' O ' ' A' ' 102' ' ' ASP . . . -26.25 -80.73 0.01 OUTLIER Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' ASN . . . . . 0.606 ' O ' ' CG ' ' A' ' 105' ' ' PHE . 28.5 t-20 174.53 34.34 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.789 0.328 . . . . 0.0 110.631 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.606 ' CG ' ' O ' ' A' ' 104' ' ' ASN . 28.9 p90 42.72 29.09 0.15 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.533 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.519 ' O ' ' HB2' ' A' ' 107' ' ' TRP . 28.0 p30 -52.07 -110.51 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.566 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' TRP . . . . . 0.542 ' NE1' HG21 ' A' ' 110' ' ' VAL . 6.6 t90 174.6 -26.15 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.554 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' GLY . . . . . 0.59 ' O ' HG12 ' A' ' 111' ' ' VAL . . . -50.2 -42.1 40.2 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' ARG . . . . . 0.535 HH21 ' HB2' ' A' ' 99' ' ' MET . 0.0 OUTLIER -48.04 -26.1 1.68 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.858 0.361 . . . . 0.0 110.645 179.928 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.542 HG21 ' NE1' ' A' ' 107' ' ' TRP . 37.0 t -52.58 -57.94 3.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.514 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.59 HG12 ' O ' ' A' ' 108' ' ' GLY . 4.7 p -45.29 -46.76 3.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.529 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.581 ' N ' HG13 ' A' ' 111' ' ' VAL . . . -58.16 -34.83 70.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.574 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.669 ' O ' HD23 ' A' ' 113' ' ' LEU . 1.9 tt -57.04 -46.78 82.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.578 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -57.26 -44.03 83.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.538 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 92.6 t80 -68.01 -43.46 78.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.538 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.452 ' CE2' HG21 ' A' ' 95' ' ' VAL . 92.7 t80 -59.23 -41.7 89.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.504 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.509 ' O ' HG23 ' A' ' 121' ' ' VAL . . . -71.13 -32.45 69.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.583 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 4.9 t -48.75 -44.09 38.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.561 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.814 ' O ' ' CB ' ' A' ' 123' ' ' LYS . 55.1 mmtt -60.09 -43.49 95.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.529 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 52.3 mt -68.26 -30.84 69.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.552 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.723 HG13 HG23 ' A' ' 133' ' ' ILE . 55.8 t -77.63 -53.32 14.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.474 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.47 HD22 ' CB ' ' A' ' 35' ' ' ALA . 71.0 mt -73.03 -40.74 64.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.546 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.814 ' CB ' ' O ' ' A' ' 119' ' ' LYS . 39.5 tptt -58.36 -41.21 84.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.507 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.426 ' O ' ' OG1' ' A' ' 127' ' ' THR . . . -75.69 -20.75 58.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.502 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.479 HD11 ' CD ' ' A' ' 44' ' ' GLU . 15.0 tp -64.39 -30.62 71.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.573 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 36.3 t -84.29 -36.26 22.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.585 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.557 ' O ' ' CB ' ' A' ' 128' ' ' LYS . 41.1 p -54.15 -16.73 2.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.471 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 128' ' ' LYS . . . . . 0.557 ' CB ' ' O ' ' A' ' 127' ' ' THR . 72.3 tttt 84.84 46.62 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.531 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 129' ' ' VAL . . . . . 0.553 ' CG2' ' OG1' ' A' ' 127' ' ' THR . 0.2 OUTLIER -148.3 87.56 5.64 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.519 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 130' ' ' PRO . . . . . 0.467 ' HB3' ' OE1' ' A' ' 44' ' ' GLU . 38.3 Cg_endo -69.98 -15.04 36.12 Favored 'Trans proline' 0 C--N 1.305 -1.734 0 C-N-CA 122.782 2.321 . . . . 0.0 112.027 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 131' ' ' GLU . . . . . 0.761 ' O ' HG23 ' A' ' 135' ' ' THR . 80.9 tt0 -64.07 -41.59 97.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.467 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.54 ' HA ' ' OG1' ' A' ' 135' ' ' THR . 8.5 mp -60.5 -34.16 73.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.549 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.723 HG23 HG13 ' A' ' 121' ' ' VAL . 21.0 mm -56.85 -50.07 76.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.535 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 83.9 mtp180 -69.18 -34.87 75.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.505 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 135' ' ' THR . . . . . 0.761 HG23 ' O ' ' A' ' 131' ' ' GLU . 70.8 p -67.19 -31.94 72.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.546 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 136' ' ' ILE . . . . . 0.423 HG21 ' CG2' ' A' ' 121' ' ' VAL . 45.7 mt -69.67 -58.83 4.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.519 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 71.9 mtp -46.53 -25.53 0.7 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.527 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -68.61 -40.49 85.9 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 139' ' ' TRP . . . . . 0.509 ' CD1' ' N ' ' A' ' 139' ' ' TRP . 8.5 m0 -66.38 -24.47 66.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.78 0.324 . . . . 0.0 110.54 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 140' ' ' THR . . . . . 0.511 ' OG1' ' N ' ' A' ' 141' ' ' LEU . 13.4 p -75.49 -65.83 0.85 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.531 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 141' ' ' LEU . . . . . 0.511 ' N ' ' OG1' ' A' ' 140' ' ' THR . 53.1 mt -51.87 -33.57 37.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.587 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -65.71 -51.05 62.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.57 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 143' ' ' PHE . . . . . 0.492 ' O ' ' HB2' ' A' ' 147' ' ' ARG . 37.1 t80 -66.9 -38.89 87.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.499 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.578 HD12 ' HB2' ' A' ' 148' ' ' LEU . 2.0 tp -71.07 -35.46 71.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.58 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 59.0 ttp180 -83.04 -10.64 58.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.616 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -111.98 -4.67 14.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.575 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 147' ' ' ARG . . . . . 1.153 ' O ' ' N ' ' A' ' 149' ' ' LEU . 7.8 mtp180 -142.15 -110.95 0.13 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.636 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 148' ' ' LEU . . . . . 0.814 ' H ' HD22 ' A' ' 148' ' ' LEU . 1.0 OUTLIER -15.38 -27.78 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.604 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 149' ' ' LEU . . . . . 1.153 ' N ' ' O ' ' A' ' 147' ' ' ARG . 57.9 tp -49.01 -56.29 9.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.604 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -63.96 -50.65 59.39 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 151' ' ' TRP . . . . . . . . . . . . . 99.9 m95 -66.24 -55.81 14.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.803 0.335 . . . . 0.0 110.61 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 152' ' ' ILE . . . . . 0.698 ' N ' ' O ' ' A' ' 148' ' ' LEU . 10.5 tt -51.22 -34.45 14.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.589 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 153' ' ' GLN . . . . . 0.528 ' OE1' HD11 ' A' ' 149' ' ' LEU . 11.3 mt-30 -67.41 -31.33 71.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.543 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -88.96 -4.61 58.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.584 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -97.45 0.83 48.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.562 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 83.65 24.67 49.26 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 89.82 -160.31 28.64 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 158' ' ' TRP . . . . . 0.412 ' CD1' HD11 ' A' ' 152' ' ' ILE . 54.4 m95 -74.02 -5.53 41.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.784 0.326 . . . . 0.0 110.529 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -60.92 -42.52 98.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.538 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -54.39 -32.2 51.84 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 161' ' ' LEU . . . . . 0.585 ' O ' HD23 ' A' ' 161' ' ' LEU . 2.0 tt -62.95 -54.0 45.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.772 0.32 . . . . 0.0 110.584 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 48.3 tp -67.12 -30.98 71.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.577 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 21.2 t -66.84 -26.31 66.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.521 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 93.5 t80 -76.6 -42.68 41.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.571 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -71.62 48.15 0.14 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.478 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -131.34 39.32 1.79 Allowed Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 167' ' ' THR . . . . . 1.037 ' OG1' ' HD2' ' A' ' 168' ' ' PRO . 0.6 OUTLIER -108.66 179.5 0.84 Allowed Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 120.832 0.348 . . . . 0.0 110.597 179.901 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 168' ' ' PRO . . . . . 1.037 ' HD2' ' OG1' ' A' ' 167' ' ' THR . 47.2 Cg_endo -72.31 -146.47 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.743 0 C-N-CA 122.862 2.375 . . . . 0.0 112.069 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 169' ' ' THR . . . . . 0.594 ' C ' ' O ' ' A' ' 168' ' ' PRO . 67.2 p -22.84 102.2 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.507 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 170' ' ' TRP . . . . . 0.688 ' O ' HG22 ' A' ' 173' ' ' VAL . 34.3 p90 -65.33 -18.61 65.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.563 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 171' ' ' GLN . . . . . . . . . . . . . 4.5 pp0? -46.96 -14.2 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.598 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 172' ' ' THR . . . . . 0.52 ' O ' HG22 ' A' ' 175' ' ' ILE . 4.8 m -86.93 -29.55 22.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.587 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 173' ' ' VAL . . . . . 0.688 HG22 ' O ' ' A' ' 170' ' ' TRP . 2.0 m -72.15 -45.67 61.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.551 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 174' ' ' THR . . . . . 0.564 ' N ' ' CG2' ' A' ' 173' ' ' VAL . 24.9 m -64.58 -24.92 67.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.578 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 175' ' ' ILE . . . . . 0.52 HG22 ' O ' ' A' ' 172' ' ' THR . 1.7 tt -85.82 -7.38 10.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.551 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 176' ' ' PHE . . . . . 0.488 ' O ' HG12 ' A' ' 180' ' ' VAL . 63.8 t80 -94.7 -60.04 1.79 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.593 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 3.2 m -62.13 -16.71 16.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.597 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 178' ' ' ALA . . . . . 0.624 ' O ' ' OG1' ' A' ' 182' ' ' THR . . . -95.51 -45.9 6.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.606 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -62.36 -26.19 67.67 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 180' ' ' VAL . . . . . 0.698 HG13 ' N ' ' A' ' 181' ' ' LEU . 13.8 p -86.21 -51.73 12.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.848 0.356 . . . . 0.0 110.606 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 181' ' ' LEU . . . . . 0.698 ' N ' HG13 ' A' ' 180' ' ' VAL . 43.5 tp -69.34 -47.97 62.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.543 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 182' ' ' THR . . . . . 0.624 ' OG1' ' O ' ' A' ' 178' ' ' ALA . 25.4 m -50.47 -51.43 47.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.619 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -47.31 -45.68 24.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.566 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 184' ' ' SER . . . . . . . . . . . . . 27.6 t -54.48 -37.93 65.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.494 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 60.3 mt -77.56 -21.76 52.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.613 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 21.5 m -73.22 -44.84 58.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.574 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 187' ' ' ILE . . . . . 0.639 HG23 ' N ' ' A' ' 188' ' ' TRP . 12.5 tt -73.69 -51.7 23.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.547 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 188' ' ' TRP . . . . . 0.75 ' HE1' ' NE ' ' A' ' 94' ' ' ARG . 6.2 t90 -30.72 -56.98 0.21 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.573 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 7.5 mmtt -175.68 128.35 0.25 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.569 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 190' ' ' LYS . . . . . . . . . . . . . 14.7 ptmt -109.95 89.48 3.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.536 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 191' ' ' MET . . . . . . . . . . . . . 84.0 mtp -128.56 136.62 51.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.591 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.763 0 CA-C-O 118.002 -1.443 . . . . 0.0 110.93 -179.994 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.766 ' O ' ' CD1' ' A' ' 19' ' ' ILE . 3.3 p . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.779 0.323 . . . . 0.0 110.441 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.422 ' H ' ' HB2' ' A' ' 15' ' ' SER . 23.3 m -95.52 -15.41 22.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.416 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 69.2 mm-40 -78.18 -49.65 13.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.539 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.483 ' CD ' ' O ' ' A' ' 18' ' ' GLN . 3.5 tm0? -66.63 -23.6 66.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.566 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.766 ' CD1' ' O ' ' A' ' 15' ' ' SER . 72.4 mt -81.52 -55.2 8.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.641 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.457 ' SD ' ' C ' ' A' ' 20' ' ' MET . 12.9 tmm? -53.11 -36.79 61.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.607 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 64.3 mmtt -67.15 -46.08 75.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.552 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.436 HG22 ' O ' ' A' ' 22' ' ' THR . 32.9 m -72.39 -8.1 53.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.528 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -79.41 -53.91 4.21 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.878 ' O ' ' HB3' ' A' ' 28' ' ' GLN . . . -78.33 -9.37 59.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.767 0.317 . . . . 0.0 110.473 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.612 ' C ' HD23 ' A' ' 25' ' ' LEU . 4.7 tt -86.62 -80.82 0.23 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.58 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.549 ' C ' ' O ' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -26.83 -65.69 0.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.563 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.5 ' N ' HD12 ' A' ' 27' ' ' LEU . 10.9 mp -51.25 -57.78 7.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.654 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.878 ' HB3' ' O ' ' A' ' 24' ' ' ALA . 0.4 OUTLIER -47.64 -17.78 0.11 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.536 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.541 ' O ' ' N ' ' A' ' 31' ' ' ILE . . . -88.81 -72.8 1.28 Allowed Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 44.8 t80 -42.17 -18.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.787 0.327 . . . . 0.0 110.535 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.541 ' N ' ' O ' ' A' ' 29' ' ' GLY . 90.8 mt -76.97 -69.2 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.547 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.55 ' CG ' HD23 ' A' ' 45' ' ' LEU . 5.4 pp0? -78.88 29.98 0.2 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.554 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.415 ' H ' ' C ' ' A' ' 31' ' ' ILE . 67.9 t0 -112.96 -50.96 2.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.598 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.421 ' NH2' ' OD2' ' A' ' 71' ' ' ASP . 16.0 ptm180 -91.4 -26.86 18.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.538 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.467 ' CB ' HD22 ' A' ' 122' ' ' LEU . . . -99.11 -12.96 20.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.603 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.674 0 N-CA-C 110.911 -0.875 . . . . 0.0 110.911 -179.971 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo . . . . . 0 N--CA 1.493 1.46 0 CA-C-O 120.91 0.296 . . . . 0.0 112.061 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.676 ' OE1' ' N ' ' A' ' 44' ' ' GLU . 40.5 mp0 -74.8 -14.98 60.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.612 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.55 HD23 ' CG ' ' A' ' 32' ' ' GLN . 25.2 tp -90.82 63.99 5.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.533 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -78.16 133.95 37.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.529 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.53 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.804 0.335 . . . . 0.0 110.598 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -80.76 -1.43 42.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.568 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 98.3 p -58.28 -40.28 81.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.597 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -80.46 -34.14 36.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.57 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -50.61 -54.77 20.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.554 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 30.4 ttpt -60.04 -47.61 85.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.609 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.642 ' O ' HD23 ' A' ' 59' ' ' LEU . 0.9 OUTLIER -62.01 -26.47 68.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.64 179.907 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.5 t -71.13 -35.53 71.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.642 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -63.66 -31.83 73.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.563 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.429 ' O ' HG22 ' A' ' 66' ' ' ILE . 99.8 m -64.12 -37.95 89.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.6 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.472 ' N ' HD12 ' A' ' 63' ' ' LEU . 9.5 mp -75.17 -24.83 57.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.511 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -84.12 -36.62 22.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.663 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.429 ' O ' ' OE2' ' A' ' 69' ' ' GLU . 95.0 mtt180 -68.56 -44.43 74.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.588 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.429 HG22 ' O ' ' A' ' 62' ' ' CYS . 21.0 tt -76.49 -35.08 25.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.567 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.425 ' O ' ' CB ' ' A' ' 71' ' ' ASP . . . -61.14 -45.21 97.01 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.437 ' OD1' ' O ' ' A' ' 68' ' ' ASP . 68.2 t0 -62.87 -34.34 77.18 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.764 0.316 . . . . 0.0 110.495 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.534 ' OE1' ' N ' ' A' ' 69' ' ' GLU . 0.3 OUTLIER -79.65 -58.39 3.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.604 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.25 -43.03 74.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.568 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.425 ' CB ' ' O ' ' A' ' 67' ' ' GLY . 53.7 t0 -65.02 -8.78 17.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.59 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.6 t -96.44 7.09 47.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.554 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -92.98 111.46 23.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.595 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 64.3 mtt -68.28 -11.3 59.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.542 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -80.27 -67.3 0.78 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.59 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 7.6 tp -59.76 -40.36 87.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.552 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 10.8 tm0? -61.69 -38.03 86.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.521 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 76.1 ttt180 -68.52 -44.89 73.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.51 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.483 ' SD ' HG23 ' A' ' 182' ' ' THR . 73.2 mtp -54.57 -43.88 72.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.529 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.641 ' O ' HG12 ' A' ' 83' ' ' VAL . 82.1 mt -62.39 -23.68 32.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.582 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -86.04 -18.69 31.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.584 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -86.51 -15.35 40.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.538 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.875 ' O ' HG13 ' A' ' 83' ' ' VAL . 7.8 p -89.47 82.74 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.623 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.422 ' O ' ' O ' ' A' ' 83' ' ' VAL . 56.9 p-10 -40.51 162.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.594 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 37.9 p -119.79 119.77 34.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.613 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -148.53 -0.59 0.55 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.48 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.67 ' O ' HG12 ' A' ' 91' ' ' VAL . 46.0 t -175.4 87.45 0.3 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.544 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.496 ' O ' ' CB ' ' A' ' 92' ' ' PHE . 35.0 Cg_endo -67.85 -15.74 44.51 Favored 'Trans proline' 0 C--N 1.306 -1.685 0 C-N-CA 122.794 2.33 . . . . 0.0 112.12 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 33.9 ptt-85 -85.4 -35.96 20.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.548 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -77.55 -58.58 3.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.533 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.67 HG12 ' O ' ' A' ' 87' ' ' SER . 10.5 p -56.05 -51.87 56.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.543 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.666 ' N ' HG13 ' A' ' 91' ' ' VAL . 84.5 t80 -45.66 -52.65 10.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.454 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -67.61 -30.56 70.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.586 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 10.8 tpp85 -71.33 -57.96 3.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.549 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.625 HG23 ' N ' ' A' ' 96' ' ' ALA . 27.9 m -59.36 -48.2 87.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.493 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.625 ' N ' HG23 ' A' ' 95' ' ' VAL . . . -54.98 -27.6 45.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.614 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -81.96 -38.89 24.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.502 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.41 ' O ' ' C ' ' A' ' 99' ' ' MET . 99.7 m-20 -63.15 -38.67 92.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.554 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' MET . . . . . 0.531 ' HB2' HH21 ' A' ' 109' ' ' ARG . 64.7 mtt -38.45 -68.87 0.14 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.539 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.597 ' CD2' ' O ' ' A' ' 100' ' ' PHE . 17.3 p90 -111.23 57.6 0.62 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.623 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.2 t -74.71 -26.78 60.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.587 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ASP . . . . . 0.535 ' O ' ' C ' ' A' ' 103' ' ' GLY . 55.5 p-10 -155.58 -18.43 0.11 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.593 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.535 ' C ' ' O ' ' A' ' 102' ' ' ASP . . . -26.3 -80.68 0.01 OUTLIER Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' ASN . . . . . 0.606 ' O ' ' CG ' ' A' ' 105' ' ' PHE . 11.5 m-20 174.49 34.36 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.821 0.343 . . . . 0.0 110.598 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.606 ' CG ' ' O ' ' A' ' 104' ' ' ASN . 26.6 p90 42.69 29.13 0.15 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.507 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.52 ' CG ' ' H ' ' A' ' 107' ' ' TRP . 28.8 p30 -52.13 -110.49 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.565 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' TRP . . . . . 0.535 ' NE1' HG21 ' A' ' 110' ' ' VAL . 6.4 t90 174.64 -26.19 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.576 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' GLY . . . . . 0.588 ' O ' HG12 ' A' ' 111' ' ' VAL . . . -50.11 -42.14 39.51 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.876 -0.89 . . . . 0.0 110.876 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' ARG . . . . . 0.531 HH21 ' HB2' ' A' ' 99' ' ' MET . 0.0 OUTLIER -48.14 -26.01 1.71 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.782 0.325 . . . . 0.0 110.58 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.535 HG21 ' NE1' ' A' ' 107' ' ' TRP . 35.0 t -52.63 -57.89 3.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.583 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.588 HG12 ' O ' ' A' ' 108' ' ' GLY . 4.7 p -45.19 -46.83 3.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.573 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.58 ' N ' HG13 ' A' ' 111' ' ' VAL . . . -57.97 -35.22 70.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.525 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.669 ' O ' HD23 ' A' ' 113' ' ' LEU . 1.9 tt -56.8 -46.79 81.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.498 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' PHE . . . . . 0.451 ' CZ ' ' CG1' ' A' ' 110' ' ' VAL . 9.8 m-85 -57.18 -44.05 83.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.556 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 92.5 t80 -68.02 -43.67 78.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.499 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.458 ' CE2' HG21 ' A' ' 95' ' ' VAL . 93.2 t80 -59.01 -41.94 88.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.509 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.508 ' O ' HG23 ' A' ' 121' ' ' VAL . . . -70.88 -32.59 69.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.566 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 4.8 t -48.63 -44.31 37.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.516 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.821 ' O ' ' CB ' ' A' ' 123' ' ' LYS . 54.5 mmtt -59.91 -43.57 94.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.545 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 54.0 mt -68.11 -31.22 70.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.517 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.721 HG13 HG23 ' A' ' 133' ' ' ILE . 54.6 t -77.16 -53.58 14.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.545 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.467 HD22 ' CB ' ' A' ' 35' ' ' ALA . 70.2 mt -72.87 -40.9 65.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.558 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.821 ' CB ' ' O ' ' A' ' 119' ' ' LYS . 88.8 tttt -58.12 -40.98 82.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.612 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -75.83 -21.66 57.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.594 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 42.5 tp -63.18 -32.2 73.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.613 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 126' ' ' CYS . . . . . 0.461 ' SG ' ' N ' ' A' ' 127' ' ' THR . 14.4 p -83.53 -35.26 24.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.616 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.765 ' O ' ' HB2' ' A' ' 128' ' ' LYS . 55.3 m -53.81 -19.07 3.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.584 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 128' ' ' LYS . . . . . 0.765 ' HB2' ' O ' ' A' ' 127' ' ' THR . 50.8 mtpt 87.52 45.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.625 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 129' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 129' ' ' VAL . 14.4 m -148.3 88.46 5.4 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.589 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 130' ' ' PRO . . . . . 0.4 ' HA ' HG12 ' A' ' 133' ' ' ILE . 39.8 Cg_endo -70.21 -14.72 34.99 Favored 'Trans proline' 0 C--N 1.306 -1.678 0 C-N-CA 122.783 2.322 . . . . 0.0 112.069 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 131' ' ' GLU . . . . . 0.739 ' O ' HG23 ' A' ' 135' ' ' THR . 81.1 tt0 -64.11 -41.66 97.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.563 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.549 ' HA ' ' OG1' ' A' ' 135' ' ' THR . 9.0 mp -60.42 -34.11 73.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.544 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.721 HG23 HG13 ' A' ' 121' ' ' VAL . 21.0 mm -56.81 -50.1 76.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.506 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 89.1 mtm180 -69.17 -34.83 75.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.436 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 135' ' ' THR . . . . . 0.739 HG23 ' O ' ' A' ' 131' ' ' GLU . 62.5 p -67.16 -32.09 72.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.508 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 136' ' ' ILE . . . . . 0.42 HG21 ' CG2' ' A' ' 121' ' ' VAL . 44.8 mt -69.62 -58.99 4.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.494 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 53.1 ttm -46.35 -25.49 0.65 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.527 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -68.74 -40.48 85.28 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 139' ' ' TRP . . . . . 0.507 ' CD1' ' N ' ' A' ' 139' ' ' TRP . 10.0 m0 -66.31 -24.4 66.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.845 0.355 . . . . 0.0 110.585 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 140' ' ' THR . . . . . 0.47 ' OG1' ' N ' ' A' ' 141' ' ' LEU . 22.5 p -75.54 -65.86 0.85 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.526 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 141' ' ' LEU . . . . . 0.47 ' N ' ' OG1' ' A' ' 140' ' ' THR . 51.2 mt -51.74 -33.64 35.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.615 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -65.77 -51.01 62.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.537 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 143' ' ' PHE . . . . . 0.431 ' O ' ' HB2' ' A' ' 147' ' ' ARG . 5.7 t80 -66.8 -38.93 87.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.567 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.557 HD12 ' HB2' ' A' ' 148' ' ' LEU . 1.6 tp -70.98 -35.57 72.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.596 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 59.1 ttp180 -83.03 -10.61 58.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.592 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -112.03 -4.67 14.42 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.527 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 147' ' ' ARG . . . . . 1.154 ' O ' ' N ' ' A' ' 149' ' ' LEU . 12.2 mtp180 -142.14 -110.93 0.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.55 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 148' ' ' LEU . . . . . 0.792 ' H ' HD22 ' A' ' 148' ' ' LEU . 1.0 OUTLIER -15.28 -27.81 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.539 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 149' ' ' LEU . . . . . 1.154 ' N ' ' O ' ' A' ' 147' ' ' ARG . 47.1 tp -49.07 -56.36 9.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.541 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -63.91 -50.59 59.88 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 151' ' ' TRP . . . . . . . . . . . . . 8.8 m95 -66.24 -55.82 14.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.79 0.329 . . . . 0.0 110.581 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 152' ' ' ILE . . . . . 0.697 ' N ' ' O ' ' A' ' 148' ' ' LEU . 10.3 tt -51.42 -34.24 15.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.546 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 56.4 tt0 -67.47 -31.23 71.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.593 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -89.25 -4.4 58.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.544 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -97.55 0.74 47.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.536 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 83.77 24.63 48.92 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 89.84 -160.32 28.61 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 158' ' ' TRP . . . . . 0.521 ' CD1' HD11 ' A' ' 152' ' ' ILE . 31.7 m95 -73.99 -5.6 42.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.829 0.347 . . . . 0.0 110.561 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -60.93 -42.42 98.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.578 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -54.37 -32.2 51.74 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 161' ' ' LEU . . . . . 0.58 ' O ' HD23 ' A' ' 161' ' ' LEU . 2.1 tt -63.01 -53.98 45.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.755 0.312 . . . . 0.0 110.547 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 50.4 tp -67.19 -31.0 71.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.532 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 20.8 t -66.83 -26.21 66.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.542 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 91.7 t80 -76.71 -42.66 40.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.565 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -71.58 47.89 0.14 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.574 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -130.84 39.01 1.85 Allowed Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 167' ' ' THR . . . . . 1.004 ' OG1' ' HD2' ' A' ' 168' ' ' PRO . 0.6 OUTLIER -108.39 179.26 0.89 Allowed Pre-proline 0 C--N 1.33 -0.242 0 CA-C-O 120.917 0.389 . . . . 0.0 110.511 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 168' ' ' PRO . . . . . 1.004 ' HD2' ' OG1' ' A' ' 167' ' ' THR . 48.3 Cg_endo -72.5 -145.8 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 122.89 2.393 . . . . 0.0 112.052 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 169' ' ' THR . . . . . 0.589 ' C ' ' O ' ' A' ' 168' ' ' PRO . 18.3 p -23.1 101.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.569 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 170' ' ' TRP . . . . . 0.69 ' O ' HG22 ' A' ' 173' ' ' VAL . 33.3 p90 -64.97 -18.57 65.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.566 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 171' ' ' GLN . . . . . 0.442 ' O ' HD12 ' A' ' 175' ' ' ILE . 0.0 OUTLIER -47.25 -14.07 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.579 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 172' ' ' THR . . . . . 0.471 ' N ' ' O ' ' A' ' 170' ' ' TRP . 5.1 m -87.02 -29.5 21.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.587 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 173' ' ' VAL . . . . . 0.69 HG22 ' O ' ' A' ' 170' ' ' TRP . 2.0 m -72.1 -45.69 61.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.552 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 174' ' ' THR . . . . . 0.567 ' N ' ' CG2' ' A' ' 173' ' ' VAL . 24.9 m -64.52 -24.9 67.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.544 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 175' ' ' ILE . . . . . 0.556 HG22 ' O ' ' A' ' 175' ' ' ILE . 89.1 mt -85.78 -7.48 10.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.502 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 176' ' ' PHE . . . . . 0.486 ' O ' HG12 ' A' ' 180' ' ' VAL . 63.5 t80 -94.74 -59.98 1.8 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.559 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 3.2 m -62.11 -16.78 16.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.554 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 178' ' ' ALA . . . . . 0.623 ' O ' ' OG1' ' A' ' 182' ' ' THR . . . -95.54 -45.89 6.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.568 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -62.28 -26.22 67.57 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 180' ' ' VAL . . . . . 0.699 HG13 ' N ' ' A' ' 181' ' ' LEU . 13.6 p -86.21 -51.72 12.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.779 0.323 . . . . 0.0 110.6 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 181' ' ' LEU . . . . . 0.699 ' N ' HG13 ' A' ' 180' ' ' VAL . 43.2 tp -69.32 -47.98 62.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.598 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 182' ' ' THR . . . . . 0.623 ' OG1' ' O ' ' A' ' 178' ' ' ALA . 25.8 m -50.49 -51.39 47.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.56 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -47.36 -45.71 25.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.58 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 184' ' ' SER . . . . . . . . . . . . . 27.9 t -54.42 -37.92 65.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.596 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 64.0 mt -77.57 -21.74 52.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.595 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 186' ' ' THR . . . . . 0.483 ' O ' ' CG ' ' A' ' 190' ' ' LYS . 90.8 m -73.17 -44.89 59.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.581 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 187' ' ' ILE . . . . . 0.637 HG23 ' N ' ' A' ' 188' ' ' TRP . 12.4 tt -73.7 -51.65 24.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.581 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 188' ' ' TRP . . . . . 0.637 ' N ' HG23 ' A' ' 187' ' ' ILE . 0.2 OUTLIER -30.72 -56.95 0.21 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.563 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 8.0 mmtt -175.76 128.31 0.24 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.597 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 190' ' ' LYS . . . . . 0.483 ' CG ' ' O ' ' A' ' 186' ' ' THR . 42.6 mtmt -109.94 89.6 3.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.508 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 191' ' ' MET . . . . . . . . . . . . . 84.2 mtp -128.59 136.57 50.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.563 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.731 0 CA-C-O 117.981 -1.455 . . . . 0.0 110.968 179.985 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.542 ' O ' ' CD1' ' A' ' 19' ' ' ILE . 34.0 p . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.804 0.335 . . . . 0.0 110.602 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.5 m -90.6 -5.4 55.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.687 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -82.35 -50.88 8.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.691 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.545 ' CD ' ' O ' ' A' ' 18' ' ' GLN . 3.0 tm0? -68.17 -20.4 64.87 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.594 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.542 ' CD1' ' O ' ' A' ' 15' ' ' SER . 71.0 mt -84.56 -57.32 4.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.57 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 62.4 ttp -51.37 -36.64 44.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.537 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -67.1 -47.13 72.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.444 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.441 HG22 ' O ' ' A' ' 22' ' ' THR . 29.1 m -71.89 -5.57 35.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.493 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -81.81 -53.76 3.65 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.668 ' O ' ' CG ' ' A' ' 28' ' ' GLN . . . -78.63 -8.85 59.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.833 0.349 . . . . 0.0 110.494 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.554 ' O ' ' C ' ' A' ' 26' ' ' LEU . 29.9 tp -86.7 -81.51 0.22 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.558 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.733 HD22 HG23 ' A' ' 56' ' ' THR . 0.1 OUTLIER -26.11 -66.4 0.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.531 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.427 ' C ' ' N ' ' A' ' 29' ' ' GLY . 4.9 tp -50.58 -58.54 5.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.579 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.857 ' NE2' HD11 ' A' ' 45' ' ' LEU . 69.6 mm-40 -46.85 -18.02 0.06 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.614 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.547 ' O ' ' N ' ' A' ' 31' ' ' ILE . . . -88.73 -72.9 1.28 Allowed Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -42.19 -18.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.834 0.35 . . . . 0.0 110.531 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.547 ' N ' ' O ' ' A' ' 29' ' ' GLY . 88.1 mt -77.07 -69.22 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.588 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.538 ' CD ' ' O ' ' A' ' 32' ' ' GLN . 0.0 OUTLIER -78.82 29.88 0.2 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.542 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.478 ' OD1' ' OE1' ' A' ' 32' ' ' GLN . 50.4 m-20 -112.81 -51.12 2.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.645 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.465 ' NH2' ' OD2' ' A' ' 71' ' ' ASP . 15.9 ptm180 -91.23 -27.13 18.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.579 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.474 ' CB ' HD22 ' A' ' 122' ' ' LEU . . . -98.75 -13.9 19.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.533 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.671 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.98 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_exo . . . . . 0 N--CA 1.493 1.452 0 CA-C-O 120.844 0.268 . . . . 0.0 111.972 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -93.68 -8.08 41.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.53 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.857 HD11 ' NE2' ' A' ' 28' ' ' GLN . 35.0 tp -105.23 67.3 0.77 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.559 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -76.32 138.86 40.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.571 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.911 ' H ' HD23 ' A' ' 47' ' ' LEU . 1.1 pt? . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.557 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.688 0.28 . . . . 0.0 110.591 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -86.57 -2.94 58.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.628 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 6.5 t -58.45 -40.3 82.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.562 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.733 HG23 HD22 ' A' ' 26' ' ' LEU . 1.2 m -81.13 -33.87 32.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.515 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.2 mmmt -50.58 -54.58 21.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.564 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 31.9 ttpt -59.98 -47.73 84.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.554 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.622 ' O ' HD23 ' A' ' 59' ' ' LEU . 0.8 OUTLIER -61.94 -26.46 68.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.551 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.5 t -71.34 -35.36 71.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.556 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 76.0 mt-10 -63.78 -31.79 73.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.571 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.438 ' O ' HG22 ' A' ' 66' ' ' ILE . 92.9 m -64.24 -37.85 88.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.563 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.433 ' N ' HD12 ' A' ' 63' ' ' LEU . 8.6 mp -75.29 -24.72 57.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.535 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.9 ttpm? -84.26 -36.66 22.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.596 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.435 ' O ' ' OE2' ' A' ' 69' ' ' GLU . 99.6 mtt180 -68.5 -44.48 74.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.63 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.438 HG22 ' O ' ' A' ' 62' ' ' CYS . 20.7 tt -76.46 -35.05 25.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.623 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.426 ' O ' ' CB ' ' A' ' 71' ' ' ASP . . . -61.0 -45.4 96.69 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.961 -0.855 . . . . 0.0 110.961 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -62.76 -34.32 76.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.8 0.333 . . . . 0.0 110.592 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.54 ' OE1' ' N ' ' A' ' 69' ' ' GLU . 0.3 OUTLIER -79.59 -58.49 3.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.629 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.15 -43.05 73.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.617 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.465 ' OD2' ' NH2' ' A' ' 34' ' ' ARG . 55.0 t0 -65.07 -8.76 17.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.585 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.5 t -96.38 7.18 47.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.541 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -93.13 111.44 23.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.572 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 68.9 mtt -68.24 -11.35 59.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.542 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -80.17 -67.39 0.77 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.622 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 7.9 tp -59.68 -40.4 87.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.614 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.74 -37.91 85.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.584 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 72.3 ttt180 -68.55 -45.01 73.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.51 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.43 ' SD ' HG23 ' A' ' 182' ' ' THR . 55.6 mtt -54.43 -43.93 71.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.599 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.64 ' O ' HG12 ' A' ' 83' ' ' VAL . 83.7 mt -62.39 -23.71 32.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.59 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -85.97 -18.68 31.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.608 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -86.55 -15.18 40.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.635 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.885 ' O ' HG13 ' A' ' 83' ' ' VAL . 7.4 p -89.72 82.99 2.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.568 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 50.4 p30 -41.28 162.04 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.549 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 80.3 p -119.24 120.32 36.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.629 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 52.8 p-10 -148.67 -0.73 0.53 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.436 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.656 ' O ' HG12 ' A' ' 91' ' ' VAL . 39.1 t -175.27 86.9 0.31 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.459 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.504 ' O ' ' HB2' ' A' ' 92' ' ' PHE . 31.9 Cg_endo -67.16 -16.0 47.74 Favored 'Trans proline' 0 C--N 1.306 -1.684 0 C-N-CA 122.798 2.332 . . . . 0.0 112.049 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 17.8 ptt-85 -85.7 -35.38 20.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.488 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -77.79 -58.05 3.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.495 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.665 HG13 ' N ' ' A' ' 92' ' ' PHE . 10.1 p -57.02 -51.54 67.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.577 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.665 ' N ' HG13 ' A' ' 91' ' ' VAL . 30.4 t80 -45.7 -52.64 10.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.498 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -67.64 -30.44 70.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.521 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.777 ' NE ' ' HE1' ' A' ' 188' ' ' TRP . 24.7 ttp180 -71.3 -57.93 4.0 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.566 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.624 HG23 ' N ' ' A' ' 96' ' ' ALA . 27.9 m -59.51 -48.26 87.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.535 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.624 ' N ' HG23 ' A' ' 95' ' ' VAL . . . -54.84 -27.71 44.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.579 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -81.85 -38.98 24.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.506 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.41 ' O ' ' C ' ' A' ' 99' ' ' MET . 99.5 m-20 -63.07 -38.71 92.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.567 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' MET . . . . . 0.537 ' HB2' HH21 ' A' ' 109' ' ' ARG . 64.6 mtt -38.43 -68.86 0.14 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.552 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.594 ' CD2' ' O ' ' A' ' 100' ' ' PHE . 15.8 p90 -111.27 57.6 0.62 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.617 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.2 t -74.74 -26.76 60.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.588 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ASP . . . . . 0.553 ' O ' ' C ' ' A' ' 103' ' ' GLY . 55.1 p-10 -155.59 -18.44 0.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.587 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.553 ' C ' ' O ' ' A' ' 102' ' ' ASP . . . -26.33 -80.73 0.01 OUTLIER Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' ASN . . . . . 0.608 ' O ' ' CG ' ' A' ' 105' ' ' PHE . 8.7 m-20 174.52 34.41 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.749 0.309 . . . . 0.0 110.504 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.608 ' CG ' ' O ' ' A' ' 104' ' ' ASN . 30.6 p90 42.69 29.14 0.15 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.543 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.52 ' O ' ' HB2' ' A' ' 107' ' ' TRP . 27.2 p30 -52.28 -110.41 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.575 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' TRP . . . . . 0.546 ' NE1' HG21 ' A' ' 110' ' ' VAL . 6.8 t90 174.58 -26.11 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.552 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' GLY . . . . . 0.591 ' O ' HG12 ' A' ' 111' ' ' VAL . . . -50.19 -42.03 40.03 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' ARG . . . . . 0.537 HH21 ' HB2' ' A' ' 99' ' ' MET . 0.0 OUTLIER -48.17 -26.04 1.74 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.779 0.323 . . . . 0.0 110.51 179.939 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.546 HG21 ' NE1' ' A' ' 107' ' ' TRP . 34.0 t -52.65 -57.87 3.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.533 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.591 HG12 ' O ' ' A' ' 108' ' ' GLY . 4.8 p -45.34 -46.74 3.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.55 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.581 ' N ' HG13 ' A' ' 111' ' ' VAL . . . -58.09 -35.02 70.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.555 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.668 ' O ' HD23 ' A' ' 113' ' ' LEU . 1.9 tt -56.92 -46.73 81.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.513 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' PHE . . . . . 0.459 ' CZ ' ' CG1' ' A' ' 110' ' ' VAL . 9.6 m-85 -57.19 -44.04 83.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.559 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 92.6 t80 -68.13 -43.36 78.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.58 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.45 ' CE2' HG21 ' A' ' 95' ' ' VAL . 92.9 t80 -59.26 -41.78 89.65 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.586 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.518 ' O ' HG23 ' A' ' 121' ' ' VAL . . . -70.99 -32.55 69.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.555 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 4.9 t -48.73 -44.1 38.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.503 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.813 ' O ' ' CB ' ' A' ' 123' ' ' LYS . 56.1 mmtt -60.05 -43.55 95.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.539 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 52.2 mt -68.38 -30.6 69.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.524 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.714 HG13 HG23 ' A' ' 133' ' ' ILE . 52.8 t -77.7 -53.34 14.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.57 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.474 HD22 ' CB ' ' A' ' 35' ' ' ALA . 70.2 mt -73.04 -40.73 64.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.553 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.813 ' CB ' ' O ' ' A' ' 119' ' ' LYS . 41.6 tptt -58.27 -41.19 83.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.539 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.466 ' O ' ' OG1' ' A' ' 127' ' ' THR . . . -75.83 -20.54 58.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.572 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 5.8 tt -64.56 -30.77 71.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.534 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 126' ' ' CYS . . . . . 0.467 ' SG ' ' N ' ' A' ' 127' ' ' THR . 13.9 p -84.6 -35.27 22.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.555 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.564 ' O ' ' CB ' ' A' ' 128' ' ' LYS . 40.4 p -54.61 -17.54 3.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.603 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 128' ' ' LYS . . . . . 0.564 ' CB ' ' O ' ' A' ' 127' ' ' THR . 24.4 ttpt 85.79 46.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.571 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 129' ' ' VAL . . . . . 0.539 ' CG2' ' OG1' ' A' ' 127' ' ' THR . 0.2 OUTLIER -148.15 86.91 5.89 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.603 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -69.3 -14.41 37.5 Favored 'Trans proline' 0 C--N 1.306 -1.669 0 C-N-CA 122.813 2.342 . . . . 0.0 112.027 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -64.6 -42.0 95.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.523 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 8.5 mp -60.1 -33.99 72.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.509 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.714 HG23 HG13 ' A' ' 121' ' ' VAL . 21.5 mm -57.05 -50.08 77.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.488 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 83.6 mtp180 -69.14 -34.88 75.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.456 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 7.3 m -67.25 -31.96 72.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.504 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 136' ' ' ILE . . . . . 0.422 HG21 ' CG2' ' A' ' 121' ' ' VAL . 44.9 mt -69.69 -58.78 4.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.564 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 137' ' ' MET . . . . . 0.459 ' SD ' ' NE2' ' A' ' 28' ' ' GLN . 47.0 ttp -46.44 -25.59 0.69 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.552 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -68.61 -40.49 85.88 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 139' ' ' TRP . . . . . 0.515 ' CD1' ' N ' ' A' ' 139' ' ' TRP . 12.7 m0 -66.34 -24.45 66.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.848 0.356 . . . . 0.0 110.565 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 140' ' ' THR . . . . . 0.468 ' OG1' ' N ' ' A' ' 141' ' ' LEU . 24.1 p -75.49 -65.84 0.84 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.501 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 141' ' ' LEU . . . . . 0.468 ' N ' ' OG1' ' A' ' 140' ' ' THR . 4.1 tp -51.77 -33.65 36.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.558 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -65.84 -51.0 62.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.5 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -66.85 -38.81 87.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.55 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.565 HD12 ' HB2' ' A' ' 148' ' ' LEU . 1.7 tp -71.16 -35.48 71.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.518 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 59.0 ttp180 -83.08 -10.56 58.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.539 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -112.05 -4.73 14.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.59 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 147' ' ' ARG . . . . . 1.152 ' O ' ' N ' ' A' ' 149' ' ' LEU . 17.1 mtp180 -142.11 -110.9 0.13 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.581 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 148' ' ' LEU . . . . . 0.813 ' H ' HD22 ' A' ' 148' ' ' LEU . 1.0 OUTLIER -15.35 -27.75 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.589 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 149' ' ' LEU . . . . . 1.152 ' N ' ' O ' ' A' ' 147' ' ' ARG . 44.4 tp -49.04 -56.35 9.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.559 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -63.89 -50.7 59.24 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 151' ' ' TRP . . . . . . . . . . . . . 99.6 m95 -66.24 -55.91 13.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.768 0.318 . . . . 0.0 110.538 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 152' ' ' ILE . . . . . 0.699 ' N ' ' O ' ' A' ' 148' ' ' LEU . 10.3 tt -51.22 -34.33 14.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.585 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 56.3 tt0 -67.49 -31.12 71.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.61 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 154' ' ' ASP . . . . . 0.436 ' OD1' ' O ' ' A' ' 154' ' ' ASP . 51.3 t0 -89.23 -4.54 58.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.56 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -97.49 0.76 48.14 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.542 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 83.74 24.65 48.95 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 89.77 -160.36 28.73 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.946 -0.861 . . . . 0.0 110.946 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 158' ' ' TRP . . . . . 0.46 ' CD1' HD11 ' A' ' 152' ' ' ILE . 36.0 m95 -73.95 -5.69 42.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.793 0.33 . . . . 0.0 110.514 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -60.92 -42.36 97.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.611 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -54.54 -32.05 52.84 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 161' ' ' LEU . . . . . 0.579 ' O ' HD23 ' A' ' 161' ' ' LEU . 2.1 tt -63.01 -54.07 44.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.812 0.339 . . . . 0.0 110.524 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 5.9 tp -67.15 -30.94 71.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.589 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 5.3 t -66.9 -26.04 66.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.533 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 93.6 t80 -76.93 -42.53 38.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.543 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -71.68 48.07 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.621 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -131.11 39.16 1.82 Allowed Glycine 0 CA--C 1.526 0.759 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 167' ' ' THR . . . . . 0.992 ' OG1' ' HD2' ' A' ' 168' ' ' PRO . 0.6 OUTLIER -108.52 178.7 0.99 Allowed Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 120.969 0.414 . . . . 0.0 110.498 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 168' ' ' PRO . . . . . 0.992 ' HD2' ' OG1' ' A' ' 167' ' ' THR . 42.8 Cg_endo -71.45 -144.94 0.02 OUTLIER 'Trans proline' 0 C--N 1.306 -1.659 0 C-N-CA 122.754 2.302 . . . . 0.0 112.122 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 169' ' ' THR . . . . . 0.58 ' C ' ' O ' ' A' ' 168' ' ' PRO . 19.9 p -24.24 102.5 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.537 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 170' ' ' TRP . . . . . 0.692 ' O ' HG22 ' A' ' 173' ' ' VAL . 29.3 p90 -65.57 -18.54 65.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.579 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 171' ' ' GLN . . . . . 0.428 ' O ' HD12 ' A' ' 175' ' ' ILE . 0.0 OUTLIER -47.34 -14.17 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.545 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 172' ' ' THR . . . . . 0.467 ' N ' ' C ' ' A' ' 170' ' ' TRP . 5.0 m -86.82 -29.46 22.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.632 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 173' ' ' VAL . . . . . 0.692 HG22 ' O ' ' A' ' 170' ' ' TRP . 2.0 m -72.08 -45.74 61.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.581 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 174' ' ' THR . . . . . 0.562 ' N ' ' CG2' ' A' ' 173' ' ' VAL . 25.1 m -64.47 -25.01 67.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.598 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 175' ' ' ILE . . . . . 0.557 HG22 ' O ' ' A' ' 175' ' ' ILE . 88.9 mt -85.71 -7.49 10.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.607 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 176' ' ' PHE . . . . . 0.483 ' O ' HG12 ' A' ' 180' ' ' VAL . 63.5 t80 -94.68 -60.05 1.79 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.534 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 3.3 m -62.11 -16.7 16.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.533 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 178' ' ' ALA . . . . . 0.614 ' O ' ' OG1' ' A' ' 182' ' ' THR . . . -95.59 -45.95 6.84 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.562 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -62.34 -26.14 67.58 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 180' ' ' VAL . . . . . 0.698 HG13 ' N ' ' A' ' 181' ' ' LEU . 13.7 p -86.23 -51.77 12.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.886 0.374 . . . . 0.0 110.604 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 181' ' ' LEU . . . . . 0.698 ' N ' HG13 ' A' ' 180' ' ' VAL . 42.5 tp -69.25 -48.03 63.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.544 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 182' ' ' THR . . . . . 0.614 ' OG1' ' O ' ' A' ' 178' ' ' ALA . 26.8 m -50.54 -51.35 48.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.573 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -47.33 -45.74 24.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.562 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 184' ' ' SER . . . . . . . . . . . . . 27.5 t -54.4 -37.92 65.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.574 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 62.6 mt -77.67 -21.6 51.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.529 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 20.9 m -73.29 -44.87 58.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.557 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 187' ' ' ILE . . . . . 0.636 HG23 ' N ' ' A' ' 188' ' ' TRP . 12.2 tt -73.68 -51.61 24.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.56 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 188' ' ' TRP . . . . . 0.777 ' HE1' ' NE ' ' A' ' 94' ' ' ARG . 7.0 t90 -30.75 -56.95 0.22 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.541 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 7.5 mmtt -175.68 128.29 0.25 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.564 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 190' ' ' LYS . . . . . . . . . . . . . 14.8 ptmt -110.0 89.6 3.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.534 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 191' ' ' MET . . . . . . . . . . . . . 84.3 mtp -128.62 136.56 50.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.503 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.693 0 CA-C-O 118.007 -1.441 . . . . 0.0 110.941 -179.99 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.823 ' O ' HD12 ' A' ' 19' ' ' ILE . 18.5 p . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.855 0.36 . . . . 0.0 110.545 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 57.7 m -92.58 -16.59 25.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.545 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -93.11 -47.28 7.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.536 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.445 HE22 HG21 ' A' ' 22' ' ' THR . 0.1 OUTLIER -59.73 -31.32 69.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.416 179.94 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.823 HD12 ' O ' ' A' ' 15' ' ' SER . 68.2 mt -75.66 -51.67 20.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.511 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 52.0 ttp -56.9 -36.41 70.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.624 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -67.92 -44.05 77.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.638 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.445 HG21 HE22 ' A' ' 18' ' ' GLN . 41.1 p -72.73 -13.48 61.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.58 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -74.86 -54.28 5.92 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.34 -10.33 59.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.756 0.313 . . . . 0.0 110.588 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.596 ' C ' HD23 ' A' ' 25' ' ' LEU . 6.6 tt -86.56 -78.4 0.29 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.556 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.53 ' C ' ' O ' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -29.17 -64.4 0.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.551 -179.952 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.408 ' O ' HG13 ' A' ' 31' ' ' ILE . 56.8 mt -52.47 -56.79 12.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.52 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.444 ' HA ' HD12 ' A' ' 31' ' ' ILE . 7.5 tp-100 -48.4 -18.02 0.2 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.575 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.532 ' O ' ' N ' ' A' ' 31' ' ' ILE . . . -88.63 -72.4 1.28 Allowed Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -42.51 -18.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.834 0.349 . . . . 0.0 110.58 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.532 ' N ' ' O ' ' A' ' 29' ' ' GLY . 94.2 mt -77.0 -69.02 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.568 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 43.7 tt0 -79.08 29.83 0.21 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.555 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.42 ' CG ' ' O ' ' A' ' 29' ' ' GLY . 97.9 m-20 -112.77 -51.17 2.85 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.548 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 -91.2 -26.98 18.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.528 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.47 ' CB ' HD22 ' A' ' 122' ' ' LEU . . . -99.21 -12.78 20.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.57 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.656 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 179.994 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo . . . . . 0 N--CA 1.492 1.417 0 CA-C-O 120.771 0.238 . . . . 0.0 112.106 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 63.2 mt-10 -88.61 -12.1 43.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.637 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.985 HD22 ' N ' ' A' ' 45' ' ' LEU . 0.4 OUTLIER -100.48 67.23 1.3 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.576 -179.946 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.404 ' O ' ' HB2' ' A' ' 47' ' ' LEU . . . -76.88 141.65 40.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.566 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.404 ' HB2' ' O ' ' A' ' 46' ' ' ALA . 23.5 tp . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.535 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.772 0.32 . . . . 0.0 110.614 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -86.4 -1.91 57.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.585 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 35.0 t -59.66 -39.71 85.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.603 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 41.0 p -82.7 -33.69 27.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.542 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -50.06 -54.81 17.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.554 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 31.0 ttpt -59.76 -47.99 83.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.621 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.61 HD21 ' HB2' ' A' ' 162' ' ' LEU . 6.5 mt -61.68 -26.25 67.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.564 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.6 t -71.44 -35.28 70.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.576 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -64.04 -31.57 72.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.538 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.446 ' O ' HG22 ' A' ' 66' ' ' ILE . 94.4 m -64.44 -37.67 88.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.593 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.463 ' N ' HD12 ' A' ' 63' ' ' LEU . 11.0 mp -75.5 -24.54 56.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.522 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.1 ttpm? -84.32 -36.53 22.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.625 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.439 ' O ' ' OE2' ' A' ' 69' ' ' GLU . 99.7 mtt180 -68.64 -44.45 74.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.558 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.446 HG22 ' O ' ' A' ' 62' ' ' CYS . 20.7 tt -76.48 -35.03 25.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.54 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.426 ' O ' ' CB ' ' A' ' 71' ' ' ASP . . . -61.04 -45.48 96.5 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.419 ' OD1' ' O ' ' A' ' 68' ' ' ASP . 67.8 t0 -62.69 -34.38 77.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.765 0.317 . . . . 0.0 110.54 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.542 ' OE1' ' N ' ' A' ' 69' ' ' GLU . 0.3 OUTLIER -79.6 -58.47 3.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.622 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.15 -43.0 73.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.575 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.426 ' CB ' ' O ' ' A' ' 67' ' ' GLY . 51.0 t0 -65.12 -8.71 17.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.546 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.4 t -96.41 7.14 47.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.63 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -93.05 111.5 23.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.542 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 58.4 mtt -68.27 -11.34 59.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.569 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -80.22 -67.38 0.77 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.591 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.7 tp -59.73 -40.3 87.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.575 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 14.4 tm0? -61.8 -37.96 86.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.571 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 75.3 ttt180 -68.41 -44.96 73.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.598 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.44 ' SD ' HG23 ' A' ' 182' ' ' THR . 65.2 mtp -54.51 -43.86 72.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.617 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.641 ' O ' HG12 ' A' ' 83' ' ' VAL . 84.8 mt -62.49 -23.6 32.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.569 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -86.12 -18.67 31.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.547 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -86.54 -15.36 40.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.577 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.873 ' O ' HG13 ' A' ' 83' ' ' VAL . 7.7 p -89.49 82.83 2.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.567 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.422 ' O ' ' O ' ' A' ' 83' ' ' VAL . 40.8 p-10 -40.62 162.52 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.581 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 23.0 p -119.87 119.89 34.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.56 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -148.62 -0.65 0.54 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.462 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.691 ' O ' HG12 ' A' ' 91' ' ' VAL . 36.3 t -175.51 87.42 0.3 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.493 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.512 ' O ' ' CB ' ' A' ' 92' ' ' PHE . 34.5 Cg_endo -67.76 -16.21 45.74 Favored 'Trans proline' 0 C--N 1.306 -1.702 0 C-N-CA 122.757 2.305 . . . . 0.0 112.068 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 36.8 ptt-85 -85.14 -35.74 21.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.497 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -78.0 -57.51 3.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.469 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.691 HG12 ' O ' ' A' ' 87' ' ' SER . 9.5 p -57.18 -51.42 69.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.548 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.658 ' N ' HG13 ' A' ' 91' ' ' VAL . 84.4 t80 -46.09 -52.31 12.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.481 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -67.56 -30.67 70.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.508 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 16.1 tpp180 -71.22 -58.14 3.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.539 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.626 HG23 ' N ' ' A' ' 96' ' ' ALA . 27.1 m -59.14 -48.22 87.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.495 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.626 ' N ' HG23 ' A' ' 95' ' ' VAL . . . -54.96 -27.69 45.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.532 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -81.94 -38.87 24.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.518 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 99' ' ' MET . 99.9 m-20 -63.16 -38.7 92.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.583 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' MET . . . . . 0.537 ' HB2' HH21 ' A' ' 109' ' ' ARG . 61.9 mtt -38.3 -68.94 0.13 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.551 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.6 ' CD2' ' O ' ' A' ' 100' ' ' PHE . 16.4 p90 -111.28 57.64 0.62 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.594 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.2 t -74.8 -26.79 59.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.551 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' ASP . . . . . 0.533 ' O ' ' C ' ' A' ' 103' ' ' GLY . 55.6 p-10 -155.63 -18.36 0.11 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.543 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.533 ' C ' ' O ' ' A' ' 102' ' ' ASP . . . -26.28 -80.73 0.01 OUTLIER Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' ASN . . . . . 0.605 ' O ' ' CG ' ' A' ' 105' ' ' PHE . 28.3 t-20 174.53 34.34 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.784 0.326 . . . . 0.0 110.605 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.605 ' CG ' ' O ' ' A' ' 104' ' ' ASN . 27.8 p90 42.7 29.0 0.14 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.614 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.523 ' O ' ' HB2' ' A' ' 107' ' ' TRP . 28.4 p30 -52.08 -110.47 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.609 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' TRP . . . . . 0.537 ' NE1' HG21 ' A' ' 110' ' ' VAL . 6.7 t90 174.61 -26.14 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.572 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' GLY . . . . . 0.589 ' O ' HG12 ' A' ' 111' ' ' VAL . . . -50.12 -42.08 39.49 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' ARG . . . . . 0.537 HH21 ' HB2' ' A' ' 99' ' ' MET . 0.0 OUTLIER -48.15 -26.05 1.73 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.775 0.321 . . . . 0.0 110.544 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.537 HG21 ' NE1' ' A' ' 107' ' ' TRP . 37.7 t -52.62 -57.86 3.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.561 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.589 HG12 ' O ' ' A' ' 108' ' ' GLY . 4.6 p -45.28 -46.77 3.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.563 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.579 ' N ' HG13 ' A' ' 111' ' ' VAL . . . -58.13 -34.98 70.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.592 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.662 ' O ' HD23 ' A' ' 113' ' ' LEU . 1.9 tt -56.94 -46.68 81.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.584 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' PHE . . . . . 0.43 ' CZ ' ' CG1' ' A' ' 110' ' ' VAL . 10.2 m-85 -57.22 -43.99 83.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.616 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 90.7 t80 -68.15 -43.53 78.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.52 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.45 ' CE2' HG21 ' A' ' 95' ' ' VAL . 92.5 t80 -59.02 -41.92 88.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.566 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -70.93 -32.61 69.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.518 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 5.3 t -48.56 -44.23 36.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.605 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.82 ' O ' ' CB ' ' A' ' 123' ' ' LYS . 56.2 mmtt -59.98 -43.62 95.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.516 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 53.1 mt -68.03 -31.32 70.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.51 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.425 ' CG2' HG21 ' A' ' 136' ' ' ILE . 78.2 t -77.06 -53.66 14.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.523 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.47 HD22 ' CB ' ' A' ' 35' ' ' ALA . 68.4 mt -72.86 -40.91 65.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.515 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.82 ' CB ' ' O ' ' A' ' 119' ' ' LYS . 88.8 tttt -57.99 -41.11 82.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.567 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -75.73 -21.88 57.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.516 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 6.5 tt -63.04 -32.3 73.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.599 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 9.6 t -83.24 -35.48 25.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.605 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.747 ' O ' ' HB2' ' A' ' 128' ' ' LYS . 53.8 m -53.71 -19.23 3.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.574 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 128' ' ' LYS . . . . . 0.747 ' HB2' ' O ' ' A' ' 127' ' ' THR . 54.4 mttp 87.51 45.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.531 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 129' ' ' VAL . . . . . 0.517 HG23 ' O ' ' A' ' 129' ' ' VAL . 16.8 m -148.4 87.89 5.52 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.598 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -69.56 -15.04 37.62 Favored 'Trans proline' 0 C--N 1.304 -1.816 0 C-N-CA 122.799 2.333 . . . . 0.0 112.029 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -63.78 -41.73 97.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.498 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 9.3 mp -60.55 -34.18 73.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.481 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 99.7 mt -56.79 -50.06 76.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.507 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 134' ' ' ARG . . . . . 0.443 ' O ' ' HG3' ' A' ' 137' ' ' MET . 79.4 mtp85 -69.24 -34.83 75.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.457 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 7.1 m -67.24 -31.91 72.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.484 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 136' ' ' ILE . . . . . 0.425 HG21 ' CG2' ' A' ' 121' ' ' VAL . 47.2 mt -69.68 -58.76 4.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.601 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 137' ' ' MET . . . . . 0.48 ' C ' ' SD ' ' A' ' 137' ' ' MET . 0.0 OUTLIER -46.54 -25.46 0.69 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.504 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -68.73 -40.4 85.42 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.911 -0.875 . . . . 0.0 110.911 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 139' ' ' TRP . . . . . 0.511 ' CD1' ' N ' ' A' ' 139' ' ' TRP . 13.2 m0 -66.36 -24.46 66.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.809 0.338 . . . . 0.0 110.529 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 140' ' ' THR . . . . . 0.503 ' OG1' ' N ' ' A' ' 141' ' ' LEU . 15.8 p -75.49 -65.86 0.84 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.53 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 141' ' ' LEU . . . . . 0.503 ' N ' ' OG1' ' A' ' 140' ' ' THR . 52.5 mt -51.76 -33.7 36.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.511 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -65.79 -50.99 62.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.5 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 143' ' ' PHE . . . . . 0.431 ' O ' ' HB2' ' A' ' 147' ' ' ARG . 5.6 t80 -66.84 -38.86 87.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.612 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.575 HD12 ' HB2' ' A' ' 148' ' ' LEU . 2.0 tp -71.09 -35.47 71.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.531 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 59.2 ttp180 -83.07 -10.6 58.62 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.537 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -111.97 -4.67 14.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.561 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 147' ' ' ARG . . . . . 1.152 ' O ' ' N ' ' A' ' 149' ' ' LEU . 12.2 mtp180 -142.17 -110.98 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.537 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 148' ' ' LEU . . . . . 0.807 ' H ' HD22 ' A' ' 148' ' ' LEU . 1.0 OUTLIER -15.37 -27.73 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.516 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 149' ' ' LEU . . . . . 1.152 ' N ' ' O ' ' A' ' 147' ' ' ARG . 42.4 tp -49.18 -56.26 9.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.509 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -63.97 -50.61 59.61 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 151' ' ' TRP . . . . . . . . . . . . . 99.9 m95 -66.32 -55.8 14.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.764 0.316 . . . . 0.0 110.544 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 152' ' ' ILE . . . . . 0.697 ' N ' ' O ' ' A' ' 148' ' ' LEU . 10.3 tt -51.28 -34.26 14.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.566 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 153' ' ' GLN . . . . . 0.4 ' HB2' ' O ' ' A' ' 149' ' ' LEU . 73.4 tp60 -67.51 -31.3 71.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.561 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -89.07 -4.52 58.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.536 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -97.47 0.73 48.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.594 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 83.64 24.75 49.02 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 89.75 -160.32 28.73 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 158' ' ' TRP . . . . . 0.483 ' CD1' HD11 ' A' ' 152' ' ' ILE . 32.2 m95 -73.98 -5.62 42.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.775 0.322 . . . . 0.0 110.513 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -60.91 -42.42 98.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.564 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -54.41 -32.18 51.98 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 161' ' ' LEU . . . . . 0.593 ' O ' HD23 ' A' ' 161' ' ' LEU . 2.0 tt -62.95 -54.06 44.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.804 0.335 . . . . 0.0 110.555 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 162' ' ' LEU . . . . . 0.61 ' HB2' HD21 ' A' ' 59' ' ' LEU . 45.6 tp -67.09 -30.98 71.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.617 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 4.9 t -66.87 -26.12 66.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.599 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 93.9 t80 -76.79 -42.68 39.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.52 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -71.53 48.18 0.14 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.569 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -131.36 39.27 1.8 Allowed Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 167' ' ' THR . . . . . 1.029 ' OG1' ' HD2' ' A' ' 168' ' ' PRO . 0.6 OUTLIER -108.71 179.25 0.88 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 120.898 0.38 . . . . 0.0 110.584 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 168' ' ' PRO . . . . . 1.029 ' HD2' ' OG1' ' A' ' 167' ' ' THR . 46.3 Cg_endo -71.98 -146.44 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.733 0 C-N-CA 122.836 2.357 . . . . 0.0 112.091 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 169' ' ' THR . . . . . 0.592 ' C ' ' O ' ' A' ' 168' ' ' PRO . 38.1 p -22.91 102.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.502 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 170' ' ' TRP . . . . . 0.681 ' O ' HG22 ' A' ' 173' ' ' VAL . 26.0 p90 -65.3 -18.63 65.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.552 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 171' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -46.9 -14.23 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.558 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 172' ' ' THR . . . . . 0.515 ' O ' HG22 ' A' ' 175' ' ' ILE . 96.9 m -87.0 -29.53 21.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.574 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 173' ' ' VAL . . . . . 0.681 HG22 ' O ' ' A' ' 170' ' ' TRP . 2.0 m -72.05 -45.65 62.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.639 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 174' ' ' THR . . . . . 0.567 ' N ' ' CG2' ' A' ' 173' ' ' VAL . 24.7 m -64.59 -24.89 67.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.553 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 175' ' ' ILE . . . . . 0.515 HG22 ' O ' ' A' ' 172' ' ' THR . 1.6 tt -85.8 -7.5 10.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.561 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 176' ' ' PHE . . . . . 0.481 ' O ' HG12 ' A' ' 180' ' ' VAL . 64.8 t80 -94.67 -60.13 1.77 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.546 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 3.2 m -62.14 -16.63 16.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.604 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 178' ' ' ALA . . . . . 0.622 ' O ' ' OG1' ' A' ' 182' ' ' THR . . . -95.63 -45.88 6.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.485 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -62.39 -26.05 67.56 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 180' ' ' VAL . . . . . 0.7 HG13 ' N ' ' A' ' 181' ' ' LEU . 13.7 p -86.31 -51.78 12.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.856 0.36 . . . . 0.0 110.497 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 181' ' ' LEU . . . . . 0.7 ' N ' HG13 ' A' ' 180' ' ' VAL . 60.0 tp -69.27 -47.99 63.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.57 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 182' ' ' THR . . . . . 0.622 ' OG1' ' O ' ' A' ' 178' ' ' ALA . 25.9 m -50.48 -51.36 47.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.602 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -47.35 -45.68 25.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.599 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 184' ' ' SER . . . . . . . . . . . . . 27.9 t -54.57 -37.76 65.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.587 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 64.2 mt -77.68 -21.69 51.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.551 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 20.7 m -73.24 -44.83 58.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.59 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 187' ' ' ILE . . . . . 0.64 HG23 ' N ' ' A' ' 188' ' ' TRP . 12.5 tt -73.73 -51.66 23.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.584 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 188' ' ' TRP . . . . . 0.64 ' N ' HG23 ' A' ' 187' ' ' ILE . 0.2 OUTLIER -30.63 -56.99 0.21 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.622 179.936 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 7.8 mmtt -175.75 128.3 0.24 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.588 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 190' ' ' LYS . . . . . . . . . . . . . 14.2 ptmt -109.89 89.55 3.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.573 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 191' ' ' MET . . . . . . . . . . . . . 83.1 mtp -128.63 136.6 50.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.499 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.719 0 CA-C-O 118.031 -1.427 . . . . 0.0 110.957 179.991 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.998 ' O ' ' CD1' ' A' ' 19' ' ' ILE . 5.8 p . . . . . 0 N--CA 1.458 -0.07 0 CA-C-O 120.823 0.344 . . . . 0.0 110.652 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 56.4 m -98.73 -16.46 18.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.617 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -83.49 -48.46 10.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.625 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 58.2 tt0 -66.4 -22.54 66.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.609 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.998 ' CD1' ' O ' ' A' ' 15' ' ' SER . 69.0 mt -82.11 -56.13 6.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.613 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 60.8 ttp -52.38 -36.87 54.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.451 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 27.4 mmtp -66.91 -46.67 74.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.558 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.479 HG22 ' O ' ' A' ' 22' ' ' THR . 56.6 m -71.95 -7.44 48.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.582 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -79.91 -54.04 4.03 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.563 ' O ' ' OE1' ' A' ' 28' ' ' GLN . . . -78.43 -9.11 59.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.782 0.325 . . . . 0.0 110.516 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.617 ' C ' HD23 ' A' ' 25' ' ' LEU . 5.3 tt -86.71 -81.14 0.23 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.562 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.613 HD22 ' OG1' ' A' ' 56' ' ' THR . 0.1 OUTLIER -26.47 -65.95 0.06 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.53 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.555 ' O ' HG12 ' A' ' 31' ' ' ILE . 11.0 mp -51.08 -58.02 7.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.577 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.585 ' N ' ' OE1' ' A' ' 28' ' ' GLN . 4.1 mp0 -47.38 -17.93 0.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.529 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.543 ' O ' ' N ' ' A' ' 31' ' ' ILE . . . -88.76 -72.87 1.28 Allowed Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 42.8 t80 -42.03 -18.84 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.727 0.299 . . . . 0.0 110.579 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.555 HG12 ' O ' ' A' ' 27' ' ' LEU . 31.7 mm -76.97 -69.3 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.532 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.414 ' CD ' ' O ' ' A' ' 32' ' ' GLN . 0.0 OUTLIER -78.82 30.07 0.2 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.59 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.416 ' H ' ' C ' ' A' ' 31' ' ' ILE . 64.8 t0 -112.96 -50.97 2.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.63 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.486 ' NH2' ' OD2' ' A' ' 71' ' ' ASP . 15.9 ptm180 -91.4 -27.0 18.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.586 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.471 ' CB ' HD22 ' A' ' 122' ' ' LEU . . . -99.23 -12.64 20.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.531 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.637 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.975 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo . . . . . 0 N--CA 1.491 1.373 0 CA-C-O 120.769 0.237 . . . . 0.0 112.105 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -91.33 -13.54 32.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.517 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 1.032 HD22 ' N ' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -99.7 68.28 1.53 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.622 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.753 ' HB3' HH22 ' A' ' 134' ' ' ARG . . . -75.33 137.27 41.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.634 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.504 ' CG ' ' O ' ' A' ' 46' ' ' ALA . 1.1 mt . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.583 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.723 ' OD1' ' O ' ' A' ' 53' ' ' ASP . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.815 0.34 . . . . 0.0 110.487 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -72.88 -6.56 45.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.566 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 84.5 p -57.68 -39.02 76.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.562 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.613 ' OG1' HD22 ' A' ' 26' ' ' LEU . 9.0 t -82.67 -33.85 27.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.525 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 55.2 tttp -50.46 -54.59 20.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.546 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 29.5 ttpt -60.19 -47.46 85.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.576 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.627 ' O ' HD23 ' A' ' 59' ' ' LEU . 0.8 OUTLIER -62.15 -26.38 68.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.577 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 6.1 t -71.3 -35.46 71.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.548 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -63.72 -31.77 73.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.556 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.425 ' O ' HG22 ' A' ' 66' ' ' ILE . 93.7 m -64.27 -37.78 88.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.59 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.451 ' N ' HD12 ' A' ' 63' ' ' LEU . 10.6 mp -75.35 -24.69 57.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.572 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -84.21 -36.68 22.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.589 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.435 ' O ' ' OE2' ' A' ' 69' ' ' GLU . 94.9 mtt180 -68.47 -44.44 74.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.632 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.425 HG22 ' O ' ' A' ' 62' ' ' CYS . 20.4 tt -76.47 -35.07 25.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.55 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.426 ' O ' ' CB ' ' A' ' 71' ' ' ASP . . . -61.08 -45.36 96.74 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.969 -0.853 . . . . 0.0 110.969 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.461 ' OD1' ' O ' ' A' ' 68' ' ' ASP . 67.7 t0 -62.79 -34.32 77.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.767 0.317 . . . . 0.0 110.512 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.545 ' OE1' ' N ' ' A' ' 69' ' ' GLU . 0.3 OUTLIER -79.57 -58.55 3.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.584 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.482 HD22 HD23 ' A' ' 76' ' ' LEU . 1.3 mt -55.13 -43.07 73.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.549 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.486 ' OD2' ' NH2' ' A' ' 34' ' ' ARG . 53.8 t0 -65.08 -8.71 17.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.561 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.5 t -96.4 7.03 47.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.574 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -92.97 111.5 23.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.485 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 80.3 mmm -68.29 -11.26 59.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.535 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 -80.34 -67.22 0.79 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.578 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.482 HD23 HD22 ' A' ' 70' ' ' LEU . 58.4 tp -59.82 -40.34 88.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.627 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -61.76 -37.87 85.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.585 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 74.6 ttt180 -68.5 -44.93 73.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.568 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.484 ' SD ' HG23 ' A' ' 182' ' ' THR . 74.2 mtp -54.5 -43.99 72.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.55 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.413 ' O ' ' CG1' ' A' ' 83' ' ' VAL . 87.0 mt -62.28 -23.8 33.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.616 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -85.91 -18.72 31.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.623 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -86.5 -15.32 40.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.587 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.653 HG22 ' O ' ' A' ' 83' ' ' VAL . 1.7 p -89.5 82.89 2.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.494 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.422 ' N ' ' OD1' ' A' ' 84' ' ' ASP . 33.1 p-10 -41.08 162.08 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.583 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 77.9 p -119.23 119.77 35.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.586 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 53.3 p-10 -148.18 -0.79 0.58 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.447 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.664 ' O ' HG12 ' A' ' 91' ' ' VAL . 33.2 t -175.42 87.32 0.3 Allowed Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.489 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.502 ' O ' ' CB ' ' A' ' 92' ' ' PHE . 33.3 Cg_endo -67.54 -16.12 46.46 Favored 'Trans proline' 0 C--N 1.304 -1.764 0 C-N-CA 122.825 2.35 . . . . 0.0 112.103 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 34.4 ptt-85 -84.91 -36.3 21.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.563 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -77.21 -58.75 3.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.529 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.672 HG13 ' N ' ' A' ' 92' ' ' PHE . 10.3 p -55.99 -52.19 52.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.459 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.672 ' N ' HG13 ' A' ' 91' ' ' VAL . 81.2 t80 -45.31 -52.83 9.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.556 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 81.1 t80 -67.72 -30.15 69.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.488 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.753 ' NE ' ' HE1' ' A' ' 188' ' ' TRP . 27.2 ttp180 -71.74 -57.25 4.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.544 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.625 HG23 ' N ' ' A' ' 96' ' ' ALA . 26.4 m -60.19 -47.97 89.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.48 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.625 ' N ' HG23 ' A' ' 95' ' ' VAL . . . -54.99 -27.74 46.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.542 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -81.72 -38.91 25.04 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.578 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 99' ' ' MET . 99.3 m-20 -63.21 -38.64 91.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.546 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' MET . . . . . 0.551 ' HB2' HH21 ' A' ' 109' ' ' ARG . 65.0 mtt -38.36 -68.88 0.14 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.567 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.605 ' CD2' ' O ' ' A' ' 100' ' ' PHE . 16.3 p90 -111.24 57.53 0.62 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.604 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.2 t -74.71 -26.78 60.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.575 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' ASP . . . . . 0.538 ' O ' ' C ' ' A' ' 103' ' ' GLY . 54.3 p-10 -155.61 -18.35 0.11 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.512 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.538 ' C ' ' O ' ' A' ' 102' ' ' ASP . . . -26.36 -80.7 0.01 OUTLIER Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' ASN . . . . . 0.605 ' O ' ' CG ' ' A' ' 105' ' ' PHE . 28.7 t-20 174.52 34.4 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.821 0.343 . . . . 0.0 110.617 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.605 ' CG ' ' O ' ' A' ' 104' ' ' ASN . 27.5 p90 42.58 29.13 0.14 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.577 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.519 ' O ' ' HB2' ' A' ' 107' ' ' TRP . 27.6 p30 -52.1 -110.45 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.542 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' TRP . . . . . 0.548 ' NE1' HG21 ' A' ' 110' ' ' VAL . 6.8 t90 174.57 -26.16 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.534 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' GLY . . . . . 0.59 ' O ' HG12 ' A' ' 111' ' ' VAL . . . -50.17 -42.12 39.96 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' ARG . . . . . 0.551 HH21 ' HB2' ' A' ' 99' ' ' MET . 0.0 OUTLIER -48.13 -26.06 1.72 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.762 0.315 . . . . 0.0 110.527 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.548 HG21 ' NE1' ' A' ' 107' ' ' TRP . 36.6 t -52.61 -57.88 3.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.481 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.59 HG12 ' O ' ' A' ' 108' ' ' GLY . 4.7 p -45.33 -46.73 3.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.538 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.58 ' N ' HG13 ' A' ' 111' ' ' VAL . . . -58.07 -35.04 70.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.556 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.673 ' O ' HD23 ' A' ' 113' ' ' LEU . 2.1 tt -56.94 -46.72 81.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.513 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' PHE . . . . . 0.445 ' CZ ' ' CG1' ' A' ' 110' ' ' VAL . 9.9 m-85 -57.19 -44.07 83.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.577 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 91.9 t80 -67.98 -43.58 78.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.57 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.447 ' CE2' HG21 ' A' ' 95' ' ' VAL . 92.5 t80 -59.11 -41.85 89.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.643 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.466 ' O ' HG23 ' A' ' 121' ' ' VAL . . . -70.94 -32.52 69.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.575 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 4.8 t -48.62 -44.25 37.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.531 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.816 ' O ' ' CB ' ' A' ' 123' ' ' LYS . 54.9 mmtt -60.0 -43.66 95.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.54 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 55.2 mt -68.08 -31.06 70.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.547 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.723 HG13 HG23 ' A' ' 133' ' ' ILE . 57.7 t -77.28 -53.54 14.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.546 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.471 HD22 ' CB ' ' A' ' 35' ' ' ALA . 69.7 mt -72.93 -40.83 65.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.547 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.816 ' CB ' ' O ' ' A' ' 119' ' ' LYS . 64.4 tttm -58.13 -41.09 82.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.572 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.513 ' O ' ' OG1' ' A' ' 127' ' ' THR . . . -75.88 -21.17 57.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.602 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 6.2 tt -63.89 -31.47 72.66 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.574 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 8.4 t -84.35 -34.77 23.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.573 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.724 ' O ' ' HB2' ' A' ' 128' ' ' LYS . 33.2 p -54.22 -18.89 4.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.559 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 128' ' ' LYS . . . . . 0.724 ' HB2' ' O ' ' A' ' 127' ' ' THR . 17.6 mtpp 87.56 44.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.594 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 129' ' ' VAL . . . . . 0.487 ' CG2' ' OG1' ' A' ' 127' ' ' THR . 0.3 OUTLIER -148.11 88.23 5.53 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.585 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -70.08 -14.93 35.65 Favored 'Trans proline' 0 C--N 1.305 -1.715 0 C-N-CA 122.736 2.291 . . . . 0.0 112.063 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -63.69 -42.26 98.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.516 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 8.4 mp -59.79 -34.11 72.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.538 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.723 HG23 HG13 ' A' ' 121' ' ' VAL . 22.3 mm -56.86 -50.23 76.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.482 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 134' ' ' ARG . . . . . 0.753 HH22 ' HB3' ' A' ' 46' ' ' ALA . 92.0 mtt-85 -69.01 -34.91 76.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.529 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 14.6 m -67.11 -32.04 72.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.513 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 136' ' ' ILE . . . . . 0.425 HG21 ' CG2' ' A' ' 121' ' ' VAL . 45.3 mt -69.61 -58.88 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.573 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 3.8 ptt? -46.46 -25.44 0.67 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.552 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -68.65 -40.49 85.69 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -66.29 -24.46 66.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.872 0.367 . . . . 0.0 110.584 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 140' ' ' THR . . . . . 0.469 ' OG1' ' N ' ' A' ' 141' ' ' LEU . 23.2 p -75.58 -65.82 0.85 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.538 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 141' ' ' LEU . . . . . 0.469 ' N ' ' OG1' ' A' ' 140' ' ' THR . 52.5 mt -51.75 -33.68 35.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.569 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 43.3 t0 -65.68 -51.04 62.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.591 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 143' ' ' PHE . . . . . 0.482 ' O ' ' HB2' ' A' ' 147' ' ' ARG . 35.4 t80 -66.79 -38.91 87.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.586 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.562 HD12 ' HB2' ' A' ' 148' ' ' LEU . 1.8 tp -71.13 -35.49 71.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.535 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 58.7 ttp180 -83.01 -10.65 58.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.538 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -112.02 -4.56 14.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.566 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 147' ' ' ARG . . . . . 1.154 ' O ' ' N ' ' A' ' 149' ' ' LEU . 25.9 mmt180 -142.18 -110.85 0.13 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.599 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 148' ' ' LEU . . . . . 0.828 ' H ' HD22 ' A' ' 148' ' ' LEU . 1.1 mm? -15.36 -27.77 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.568 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 149' ' ' LEU . . . . . 1.154 ' N ' ' O ' ' A' ' 147' ' ' ARG . 48.5 tp -49.11 -56.31 9.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.581 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -63.92 -50.6 59.81 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 151' ' ' TRP . . . . . . . . . . . . . 99.5 m95 -66.31 -55.81 14.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.719 0.295 . . . . 0.0 110.555 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 152' ' ' ILE . . . . . 0.694 ' N ' ' O ' ' A' ' 148' ' ' LEU . 10.7 tt -51.32 -34.29 14.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.524 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -67.52 -31.19 71.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.539 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 53.7 t0 -89.17 -4.51 58.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.588 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -97.58 0.86 48.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.597 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 83.64 24.6 49.51 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 89.86 -160.25 28.54 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.866 -0.893 . . . . 0.0 110.866 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 158' ' ' TRP . . . . . 0.48 ' CD1' HD11 ' A' ' 152' ' ' ILE . 33.2 m95 -73.93 -5.71 42.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.842 0.353 . . . . 0.0 110.583 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -60.91 -42.44 98.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.557 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -54.48 -32.16 52.44 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 161' ' ' LEU . . . . . 0.589 ' O ' HD23 ' A' ' 161' ' ' LEU . 2.2 tt -62.9 -54.06 44.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.785 0.326 . . . . 0.0 110.559 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 47.4 tp -67.15 -30.96 71.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.55 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 21.1 t -66.92 -26.13 66.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.54 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 92.8 t80 -76.87 -42.55 39.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.564 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -71.59 48.2 0.14 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.619 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -131.34 39.44 1.77 Allowed Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 167' ' ' THR . . . . . 1.026 ' OG1' ' HD2' ' A' ' 168' ' ' PRO . 0.6 OUTLIER -108.78 179.15 0.89 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 120.876 0.37 . . . . 0.0 110.539 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 168' ' ' PRO . . . . . 1.026 ' HD2' ' OG1' ' A' ' 167' ' ' THR . 44.4 Cg_endo -71.83 -145.77 0.02 OUTLIER 'Trans proline' 0 C--N 1.304 -1.783 0 C-N-CA 122.837 2.358 . . . . 0.0 112.113 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 169' ' ' THR . . . . . 0.585 ' C ' ' O ' ' A' ' 168' ' ' PRO . 29.9 p -23.72 102.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.558 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 170' ' ' TRP . . . . . 0.686 ' O ' HG22 ' A' ' 173' ' ' VAL . 28.6 p90 -65.21 -18.58 65.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.606 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 171' ' ' GLN . . . . . 0.429 ' O ' HD12 ' A' ' 175' ' ' ILE . 0.0 OUTLIER -46.95 -14.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.542 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 172' ' ' THR . . . . . 0.484 ' N ' ' C ' ' A' ' 170' ' ' TRP . 98.3 m -86.92 -29.51 22.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.598 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 173' ' ' VAL . . . . . 0.686 HG22 ' O ' ' A' ' 170' ' ' TRP . 2.1 m -72.14 -45.65 61.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.557 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 174' ' ' THR . . . . . 0.568 ' N ' ' CG2' ' A' ' 173' ' ' VAL . 25.8 m -64.5 -24.89 67.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.596 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 175' ' ' ILE . . . . . 0.555 HG22 ' O ' ' A' ' 175' ' ' ILE . 89.5 mt -85.83 -7.42 10.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.612 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 176' ' ' PHE . . . . . 0.485 ' O ' HG12 ' A' ' 180' ' ' VAL . 63.3 t80 -94.69 -60.06 1.79 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.55 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 3.1 m -62.03 -16.79 16.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.581 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 178' ' ' ALA . . . . . 0.63 ' O ' ' OG1' ' A' ' 182' ' ' THR . . . -95.54 -45.87 6.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.537 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -62.37 -26.18 67.67 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 180' ' ' VAL . . . . . 0.697 HG13 ' N ' ' A' ' 181' ' ' LEU . 13.6 p -86.13 -51.76 12.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.889 0.376 . . . . 0.0 110.607 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 181' ' ' LEU . . . . . 0.697 ' N ' HG13 ' A' ' 180' ' ' VAL . 45.0 tp -69.31 -48.01 62.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.563 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 182' ' ' THR . . . . . 0.63 ' OG1' ' O ' ' A' ' 178' ' ' ALA . 24.8 m -50.45 -51.46 46.58 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.585 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -47.32 -45.67 24.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.571 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 184' ' ' SER . . . . . . . . . . . . . 27.7 t -54.5 -37.88 65.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.527 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 62.6 mt -77.63 -21.64 51.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.675 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 21.5 m -73.24 -44.87 58.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.597 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 187' ' ' ILE . . . . . 0.639 HG23 ' N ' ' A' ' 188' ' ' TRP . 12.3 tt -73.7 -51.67 23.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.548 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 188' ' ' TRP . . . . . 0.753 ' HE1' ' NE ' ' A' ' 94' ' ' ARG . 6.7 t90 -30.71 -56.86 0.21 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.59 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 7.6 mmtt -175.83 128.25 0.24 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.556 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 190' ' ' LYS . . . . . . . . . . . . . 14.2 ptmt -109.88 89.52 3.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.575 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 191' ' ' MET . . . . . . . . . . . . . 93.7 mtp -128.56 136.62 50.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.618 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.769 0 CA-C-O 117.981 -1.455 . . . . 0.0 110.944 179.996 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 13.9 p . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.832 0.349 . . . . 0.0 110.605 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.1 m -85.13 -2.89 58.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.585 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.407 ' OE1' ' HA ' ' A' ' 17' ' ' GLU . 66.7 mm-40 -87.96 -48.19 7.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.591 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 68.4 tp60 -68.17 -22.68 64.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.63 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 69.4 mt -82.5 -56.68 5.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.531 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 27.5 ttt -51.93 -36.97 50.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.5 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.486 ' O ' HD13 ' A' ' 25' ' ' LEU . 27.4 mmtp -66.71 -46.91 74.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.502 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.501 HG22 ' O ' ' A' ' 22' ' ' THR . 88.1 m -72.14 -6.48 42.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.531 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -80.69 -54.01 3.83 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.869 ' O ' ' HB3' ' A' ' 28' ' ' GLN . . . -78.72 -8.72 59.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.791 0.329 . . . . 0.0 110.462 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.547 ' O ' ' C ' ' A' ' 26' ' ' LEU . 2.6 mp -86.99 -81.15 0.23 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.55 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.547 ' C ' ' O ' ' A' ' 25' ' ' LEU . 50.3 tp -26.41 -65.94 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.583 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.552 ' N ' HD12 ' A' ' 27' ' ' LEU . 10.6 mp -51.07 -58.08 7.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.569 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.869 ' HB3' ' O ' ' A' ' 24' ' ' ALA . 0.4 OUTLIER -47.27 -17.82 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.554 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.546 ' O ' ' N ' ' A' ' 31' ' ' ILE . . . -88.9 -72.84 1.28 Allowed Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.849 -0.9 . . . . 0.0 110.849 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -42.13 -18.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.798 0.332 . . . . 0.0 110.578 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.546 ' N ' ' O ' ' A' ' 29' ' ' GLY . 71.8 mt -76.98 -69.29 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.505 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.531 ' CD ' ' O ' ' A' ' 32' ' ' GLN . 5.3 pp0? -78.86 30.12 0.2 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.532 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.412 ' H ' ' C ' ' A' ' 31' ' ' ILE . 67.4 t0 -113.03 -50.94 2.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.58 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.428 ' NH2' ' OD2' ' A' ' 71' ' ' ASP . 16.1 ptm180 -91.42 -26.96 18.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.576 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.463 ' CB ' HD22 ' A' ' 122' ' ' LEU . . . -98.9 -13.19 20.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.516 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.71 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 -179.942 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_exo . . . . . 0 N--CA 1.49 1.293 0 CA-C-O 120.774 0.239 . . . . 0.0 112.067 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.68 ' H ' ' CD ' ' A' ' 44' ' ' GLU . 1.4 pm0 -79.32 -19.5 50.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.461 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.484 HD23 ' CG ' ' A' ' 32' ' ' GLN . 14.0 tp -87.58 75.74 9.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.535 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -88.59 131.99 34.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.56 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.424 HD12 ' HA ' ' A' ' 47' ' ' LEU . 18.7 tp . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.595 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.471 ' OD2' ' OG ' ' A' ' 55' ' ' SER . 67.3 t0 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.808 0.337 . . . . 0.0 110.587 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.441 ' N ' ' OD1' ' A' ' 53' ' ' ASP . . . -81.32 -1.18 44.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.585 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.471 ' OG ' ' OD2' ' A' ' 53' ' ' ASP . 77.3 p -61.54 -38.86 88.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.578 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.7 m -83.58 -33.8 25.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.614 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 64.4 mmtt -49.77 -55.17 15.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.558 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 30.5 ttpt -59.32 -48.32 82.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.566 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.626 ' O ' HD23 ' A' ' 59' ' ' LEU . 0.8 OUTLIER -61.44 -26.13 67.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.601 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.4 t -71.63 -35.22 70.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.534 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 76.1 mt-10 -64.13 -31.57 72.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.559 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.441 ' O ' HG22 ' A' ' 66' ' ' ILE . 91.5 m -64.38 -37.79 88.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.591 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.486 ' N ' HD12 ' A' ' 63' ' ' LEU . 8.6 mp -75.33 -24.64 57.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.524 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -84.25 -36.75 22.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.591 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.445 ' O ' ' OE2' ' A' ' 69' ' ' GLU . 99.7 mtt180 -68.45 -44.49 74.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.555 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.441 HG22 ' O ' ' A' ' 62' ' ' CYS . 20.6 tt -76.41 -35.1 26.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.591 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.424 ' O ' ' CB ' ' A' ' 71' ' ' ASP . . . -60.99 -45.44 96.6 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.438 ' OD1' ' O ' ' A' ' 68' ' ' ASP . 68.2 t0 -62.74 -34.29 76.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.747 0.308 . . . . 0.0 110.595 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.534 ' OE1' ' N ' ' A' ' 69' ' ' GLU . 0.3 OUTLIER -79.62 -58.51 3.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.577 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.09 -43.12 73.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.609 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.428 ' OD2' ' NH2' ' A' ' 34' ' ' ARG . 54.0 t0 -65.06 -8.71 17.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.622 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.6 t -96.38 6.99 47.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.559 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -92.94 111.53 23.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.581 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 96.7 mmm -68.36 -11.14 59.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.626 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -80.42 -67.26 0.79 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.542 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 7.3 tp -59.83 -40.26 87.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.585 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 4.3 tm0? -61.8 -37.96 86.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.522 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 76.3 ttt180 -68.45 -44.87 73.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.653 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.488 ' SD ' HG23 ' A' ' 182' ' ' THR . 74.4 mtp -54.51 -43.99 72.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.532 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.644 ' O ' HG12 ' A' ' 83' ' ' VAL . 84.3 mt -62.33 -23.68 32.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.605 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -86.1 -18.68 31.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.576 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -86.43 -15.41 40.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.566 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.887 ' O ' HG13 ' A' ' 83' ' ' VAL . 8.0 p -89.37 82.46 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.566 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.451 ' O ' ' O ' ' A' ' 83' ' ' VAL . 50.1 p30 -39.9 162.76 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.534 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 61.7 p -120.04 118.62 31.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.595 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -147.6 -0.35 0.65 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.528 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.701 ' O ' HG12 ' A' ' 91' ' ' VAL . 31.7 t -176.0 90.11 0.28 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.534 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.485 ' O ' ' CB ' ' A' ' 92' ' ' PHE . 41.0 Cg_endo -70.76 -14.14 32.7 Favored 'Trans proline' 0 C--N 1.304 -1.797 0 C-N-CA 122.792 2.328 . . . . 0.0 112.086 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 33.9 ptt-85 -86.83 -34.46 19.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.484 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -79.55 -57.7 3.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.588 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.701 HG12 ' O ' ' A' ' 87' ' ' SER . 10.1 p -56.87 -51.24 70.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.517 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.66 ' N ' HG13 ' A' ' 91' ' ' VAL . 85.4 t80 -46.42 -51.84 14.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.472 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -68.24 -30.38 69.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.475 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 15.8 tpp180 -71.74 -57.72 4.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.555 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.615 HG23 ' N ' ' A' ' 96' ' ' ALA . 28.5 m -59.47 -47.98 88.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.537 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.615 ' N ' HG23 ' A' ' 95' ' ' VAL . . . -55.22 -27.76 48.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.548 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -81.78 -38.76 25.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.577 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 99' ' ' MET . 99.9 m-20 -63.3 -38.6 91.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.537 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' MET . . . . . 0.552 ' HB2' HH21 ' A' ' 109' ' ' ARG . 63.7 mtt -38.48 -68.76 0.14 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.542 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.604 ' CD2' ' O ' ' A' ' 100' ' ' PHE . 17.1 p90 -111.34 57.44 0.63 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.528 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.2 t -74.63 -26.84 60.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.527 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' ASP . . . . . 0.554 ' O ' ' C ' ' A' ' 103' ' ' GLY . 55.1 p-10 -155.58 -18.39 0.11 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.58 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.554 ' C ' ' O ' ' A' ' 102' ' ' ASP . . . -26.31 -80.71 0.01 OUTLIER Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' ASN . . . . . 0.607 ' O ' ' CG ' ' A' ' 105' ' ' PHE . 8.5 m-20 174.53 34.34 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.825 0.345 . . . . 0.0 110.598 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.607 ' CG ' ' O ' ' A' ' 104' ' ' ASN . 29.0 p90 42.64 28.97 0.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.57 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.522 ' CG ' ' H ' ' A' ' 107' ' ' TRP . 29.1 p30 -52.09 -110.58 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.548 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' TRP . . . . . 0.548 ' NE1' HG21 ' A' ' 110' ' ' VAL . 6.8 t90 174.8 -26.31 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.583 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' GLY . . . . . 0.592 ' O ' HG12 ' A' ' 111' ' ' VAL . . . -49.91 -42.2 37.88 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' ARG . . . . . 0.552 HH21 ' HB2' ' A' ' 99' ' ' MET . 0.0 OUTLIER -48.05 -26.27 1.75 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.851 0.357 . . . . 0.0 110.581 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.548 HG21 ' NE1' ' A' ' 107' ' ' TRP . 33.0 t -52.43 -57.88 3.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.563 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.592 HG12 ' O ' ' A' ' 108' ' ' GLY . 4.7 p -45.31 -46.63 3.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.545 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.574 ' N ' HG13 ' A' ' 111' ' ' VAL . . . -58.21 -35.21 71.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.516 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.668 ' O ' HD23 ' A' ' 113' ' ' LEU . 2.1 tt -56.69 -46.89 80.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.503 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' PHE . . . . . 0.446 ' CZ ' ' CG1' ' A' ' 110' ' ' VAL . 10.0 m-85 -57.05 -44.17 82.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.471 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 92.7 t80 -68.0 -43.78 78.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.511 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.453 ' CE2' HG21 ' A' ' 95' ' ' VAL . 92.9 t80 -58.89 -41.93 88.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.57 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -70.83 -32.62 69.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.53 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 4.9 t -48.53 -44.6 36.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.593 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.817 ' O ' ' CB ' ' A' ' 123' ' ' LYS . 55.4 mmtt -59.44 -43.69 93.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.578 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 53.7 mt -68.05 -31.68 71.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.544 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.423 ' CG2' HG21 ' A' ' 136' ' ' ILE . 78.6 t -76.83 -53.31 15.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.608 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.463 HD22 ' CB ' ' A' ' 35' ' ' ALA . 71.8 mt -73.03 -41.05 64.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.621 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.817 ' CB ' ' O ' ' A' ' 119' ' ' LYS . 38.6 ttmt -58.09 -41.16 82.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.616 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.519 ' O ' ' OG1' ' A' ' 127' ' ' THR . . . -75.48 -22.14 57.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.56 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.464 HD13 ' HG3' ' A' ' 44' ' ' GLU . 33.8 tp -63.03 -32.06 73.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.513 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 126' ' ' CYS . . . . . 0.474 ' SG ' ' N ' ' A' ' 127' ' ' THR . 0.1 OUTLIER -83.3 -35.79 24.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.494 -179.914 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.742 ' O ' ' HB2' ' A' ' 128' ' ' LYS . 36.0 p -53.45 -18.57 2.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.579 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 128' ' ' LYS . . . . . 0.742 ' HB2' ' O ' ' A' ' 127' ' ' THR . 53.6 mttp 87.72 43.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.575 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 129' ' ' VAL . . . . . 0.515 ' CG2' ' OG1' ' A' ' 127' ' ' THR . 0.2 OUTLIER -147.07 91.47 5.14 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.67 -179.944 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 130' ' ' PRO . . . . . 0.973 ' O ' HG12 ' A' ' 133' ' ' ILE . 53.1 Cg_endo -73.6 -12.93 24.81 Favored 'Trans proline' 0 C--N 1.306 -1.702 0 C-N-CA 122.836 2.357 . . . . 0.0 112.039 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 46.5 tt0 -65.94 -40.1 91.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.52 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 8.5 mp -62.1 -33.95 75.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.517 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.973 HG12 ' O ' ' A' ' 130' ' ' PRO . 2.3 pt -56.83 -50.25 75.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.482 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 134' ' ' ARG . . . . . 0.641 ' N ' ' CG1' ' A' ' 133' ' ' ILE . 42.9 ttm180 -68.86 -34.72 75.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.528 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 8.2 m -67.45 -31.68 72.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.553 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 136' ' ' ILE . . . . . 0.423 HG21 ' CG2' ' A' ' 121' ' ' VAL . 46.9 mt -70.06 -58.61 5.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.494 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 95.0 mtp -46.65 -25.54 0.74 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.482 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -68.74 -40.36 85.38 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 139' ' ' TRP . . . . . 0.507 ' CD1' ' N ' ' A' ' 139' ' ' TRP . 13.4 m0 -66.32 -24.49 66.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.851 0.357 . . . . 0.0 110.539 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 140' ' ' THR . . . . . 0.478 ' OG1' ' N ' ' A' ' 141' ' ' LEU . 20.3 p -75.51 -65.83 0.85 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.563 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 141' ' ' LEU . . . . . 0.478 ' N ' ' OG1' ' A' ' 140' ' ' THR . 55.2 mt -51.82 -33.59 36.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.531 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -65.8 -50.97 62.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.599 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 143' ' ' PHE . . . . . 0.431 ' O ' ' HB2' ' A' ' 147' ' ' ARG . 5.4 t80 -66.84 -38.96 87.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.502 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.581 HD12 ' HB2' ' A' ' 148' ' ' LEU . 1.8 tp -71.04 -35.5 71.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.561 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 59.1 ttp180 -83.01 -10.65 58.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.537 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -112.09 -4.63 14.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.484 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 147' ' ' ARG . . . . . 1.146 ' O ' ' N ' ' A' ' 149' ' ' LEU . 11.5 mtp180 -142.17 -110.83 0.13 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.584 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 148' ' ' LEU . . . . . 0.816 ' H ' HD22 ' A' ' 148' ' ' LEU . 1.0 OUTLIER -15.48 -27.73 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.563 -179.951 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 149' ' ' LEU . . . . . 1.146 ' N ' ' O ' ' A' ' 147' ' ' ARG . 57.3 tp -49.01 -56.31 9.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.683 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -63.91 -50.55 60.23 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 151' ' ' TRP . . . . . . . . . . . . . 99.5 m95 -66.3 -55.79 14.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.87 0.367 . . . . 0.0 110.632 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 152' ' ' ILE . . . . . 0.701 ' N ' ' O ' ' A' ' 148' ' ' LEU . 10.5 tt -51.34 -34.34 14.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.597 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 153' ' ' GLN . . . . . 0.54 ' OE1' HD11 ' A' ' 149' ' ' LEU . 11.1 mt-30 -67.41 -31.37 71.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.554 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 53.6 t0 -88.92 -4.61 58.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.558 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -97.49 0.8 48.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.582 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 83.69 24.69 49.02 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 89.74 -160.43 28.84 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 158' ' ' TRP . . . . . 0.451 ' CD1' HD11 ' A' ' 152' ' ' ILE . 37.0 m95 -73.79 -5.85 43.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.801 0.334 . . . . 0.0 110.554 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -60.8 -42.42 97.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.539 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -54.45 -32.34 52.44 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 161' ' ' LEU . . . . . 0.583 ' O ' HD23 ' A' ' 161' ' ' LEU . 2.0 tt -62.72 -54.2 42.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.854 0.359 . . . . 0.0 110.6 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 47.6 tp -66.77 -31.34 71.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.588 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 6.1 t -66.55 -26.68 67.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.531 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 94.1 t80 -76.03 -42.85 46.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.584 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -71.75 47.91 0.15 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.597 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -130.68 39.16 1.83 Allowed Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 167' ' ' THR . . . . . 1.138 ' OG1' ' HD2' ' A' ' 168' ' ' PRO . 0.6 OUTLIER -108.64 -177.24 0.46 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 120.909 0.385 . . . . 0.0 110.564 -179.949 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 168' ' ' PRO . . . . . 1.138 ' HD2' ' OG1' ' A' ' 167' ' ' THR . 58.6 Cg_endo -76.51 -147.38 0.03 OUTLIER 'Trans proline' 0 C--N 1.305 -1.728 0 C-N-CA 122.81 2.34 . . . . 0.0 112.132 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 169' ' ' THR . . . . . 0.602 ' C ' ' O ' ' A' ' 168' ' ' PRO . 80.3 p -21.08 99.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.581 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 170' ' ' TRP . . . . . 0.686 ' O ' HG22 ' A' ' 173' ' ' VAL . 32.4 p90 -63.64 -18.66 64.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.571 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 171' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.02 -13.88 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.589 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 172' ' ' THR . . . . . 0.524 ' O ' HG22 ' A' ' 175' ' ' ILE . 4.7 m -87.47 -29.53 21.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.526 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 173' ' ' VAL . . . . . 0.686 HG22 ' O ' ' A' ' 170' ' ' TRP . 2.0 m -72.05 -45.59 62.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.619 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 174' ' ' THR . . . . . 0.558 ' N ' ' CG2' ' A' ' 173' ' ' VAL . 25.1 m -64.61 -24.88 67.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.589 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 175' ' ' ILE . . . . . 0.524 HG22 ' O ' ' A' ' 172' ' ' THR . 1.7 tt -85.8 -7.49 10.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.535 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 176' ' ' PHE . . . . . 0.478 ' O ' HG12 ' A' ' 180' ' ' VAL . 64.4 t80 -94.64 -60.16 1.77 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.544 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 3.2 m -62.09 -16.76 16.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.5 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 178' ' ' ALA . . . . . 0.626 ' O ' ' OG1' ' A' ' 182' ' ' THR . . . -95.47 -45.9 6.9 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.605 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -62.33 -26.24 67.69 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 180' ' ' VAL . . . . . 0.696 HG13 ' N ' ' A' ' 181' ' ' LEU . 13.6 p -86.17 -51.67 12.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.761 0.315 . . . . 0.0 110.573 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 181' ' ' LEU . . . . . 0.696 ' N ' HG13 ' A' ' 180' ' ' VAL . 40.6 tp -69.3 -48.01 62.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.585 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 182' ' ' THR . . . . . 0.626 ' OG1' ' O ' ' A' ' 178' ' ' ALA . 25.3 m -50.5 -51.4 47.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.515 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -47.33 -45.76 24.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.548 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 184' ' ' SER . . . . . . . . . . . . . 28.3 t -54.46 -37.89 65.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.506 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 60.4 mt -77.64 -21.76 51.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.542 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 21.8 m -73.22 -44.86 58.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.563 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 187' ' ' ILE . . . . . 0.638 HG23 ' N ' ' A' ' 188' ' ' TRP . 12.7 tt -73.67 -51.63 24.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.546 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 188' ' ' TRP . . . . . 0.638 ' N ' HG23 ' A' ' 187' ' ' ILE . 0.2 OUTLIER -30.75 -56.87 0.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.608 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 7.8 mmtt -175.81 128.24 0.24 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.57 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 190' ' ' LYS . . . . . . . . . . . . . 35.2 pttt -109.83 89.56 3.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.551 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 191' ' ' MET . . . . . . . . . . . . . 84.6 mtp -128.64 136.59 50.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.557 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.739 0 CA-C-O 118.013 -1.437 . . . . 0.0 110.918 -179.982 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.936 ' O ' HD12 ' A' ' 19' ' ' ILE . 1.5 p . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.777 0.322 . . . . 0.0 110.522 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.518 ' H ' ' HB2' ' A' ' 15' ' ' SER . 21.2 m -102.11 -13.46 17.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.656 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -80.6 -49.46 11.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.655 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -66.48 -22.78 66.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.653 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.936 HD12 ' O ' ' A' ' 15' ' ' SER . 27.4 mt -82.06 -54.92 8.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.564 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 88.9 mtp -53.6 -36.22 61.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.542 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 23.0 mmtp -67.6 -46.02 73.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.529 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.465 HG22 ' O ' ' A' ' 22' ' ' THR . 52.3 m -72.51 -7.65 51.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.506 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -79.8 -53.82 4.14 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.904 -0.879 . . . . 0.0 110.904 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.498 ' O ' ' CG ' ' A' ' 28' ' ' GLN . . . -78.38 -9.36 59.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.793 0.33 . . . . 0.0 110.477 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.551 ' O ' ' C ' ' A' ' 26' ' ' LEU . 34.7 tp -86.59 -81.04 0.23 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.521 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.551 ' C ' ' O ' ' A' ' 25' ' ' LEU . 45.0 tp -26.73 -65.83 0.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.513 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.531 ' O ' HG12 ' A' ' 31' ' ' ILE . 51.5 mt -51.1 -58.07 7.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.53 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.695 HE22 ' HG ' ' A' ' 47' ' ' LEU . 22.9 mt-30 -47.36 -17.96 0.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.537 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.542 ' O ' ' N ' ' A' ' 31' ' ' ILE . . . -88.68 -72.76 1.28 Allowed Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 38.8 t80 -42.27 -18.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.812 0.339 . . . . 0.0 110.576 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.542 ' N ' ' O ' ' A' ' 29' ' ' GLY . 30.3 mm -77.13 -69.21 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.582 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.602 ' HG2' ' O ' ' A' ' 32' ' ' GLN . 50.2 tt0 -78.83 30.07 0.2 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.59 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.413 ' H ' ' C ' ' A' ' 31' ' ' ILE . 49.9 t0 -113.1 -50.75 2.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.574 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 15.4 ptm180 -91.6 -27.12 18.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.553 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.473 ' CB ' HD22 ' A' ' 122' ' ' LEU . . . -98.53 -14.38 20.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.595 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.695 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 179.996 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.445 ' HB3' ' NE2' ' A' ' 32' ' ' GLN . 51.8 Cg_exo . . . . . 0 N--CA 1.491 1.356 0 CA-C-O 120.816 0.257 . . . . 0.0 112.091 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 51.5 mp0 -94.19 -9.13 37.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.506 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.48 HD21 ' O ' ' A' ' 28' ' ' GLN . 23.3 tp -105.36 67.71 0.78 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.518 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.805 ' O ' ' CB ' ' A' ' 47' ' ' LEU . . . -77.08 138.23 39.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.535 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.805 ' CB ' ' O ' ' A' ' 46' ' ' ALA . 64.9 tp . . . . . 0 CA--C 1.587 2.401 1 CA-C-O 106.478 -6.487 . . . . 0.0 101.611 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 54.1 t0 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.813 0.339 . . . . 0.0 110.568 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -88.54 -1.68 58.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.61 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 12.0 t -59.15 -39.37 82.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.539 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 10.5 m -82.04 -33.61 29.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.563 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -50.31 -54.74 19.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.661 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -59.83 -48.11 83.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.536 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.63 ' O ' HD23 ' A' ' 59' ' ' LEU . 0.8 OUTLIER -61.65 -26.2 67.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.536 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.5 t -71.54 -35.23 70.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.544 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -64.01 -31.71 73.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.551 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 94.4 m -64.23 -37.8 88.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.605 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.429 ' N ' HD12 ' A' ' 63' ' ' LEU . 10.8 mp -75.36 -24.67 57.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.53 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -84.29 -36.72 22.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.557 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.435 ' O ' ' OE2' ' A' ' 69' ' ' GLU . 99.6 mtt180 -68.46 -44.47 74.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.575 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 19.4 tt -76.48 -35.02 25.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.574 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.425 ' O ' ' CB ' ' A' ' 71' ' ' ASP . . . -61.04 -45.38 96.7 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.437 ' OD1' ' O ' ' A' ' 68' ' ' ASP . 68.5 t0 -62.75 -34.37 77.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.852 0.358 . . . . 0.0 110.569 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.547 ' OE1' ' N ' ' A' ' 69' ' ' GLU . 0.3 OUTLIER -79.55 -58.49 3.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.609 179.949 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 2.1 mt -55.22 -43.07 74.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.538 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.425 ' CB ' ' O ' ' A' ' 67' ' ' GLY . 51.4 t0 -65.01 -8.76 17.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.623 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.6 t -96.4 7.08 47.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.61 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -92.99 111.55 23.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.531 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 77.8 mtm -68.41 -11.12 59.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.56 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 -80.43 -67.36 0.78 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.552 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 52.5 tp -59.66 -40.42 87.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.618 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.851 HE22 ' HZ2' ' A' ' 119' ' ' LYS . 67.6 tp60 -61.72 -37.95 86.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.536 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 77.8 ttt180 -68.49 -44.96 73.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.552 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.442 ' SD ' HG23 ' A' ' 182' ' ' THR . 66.0 mtp -54.51 -43.83 72.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.629 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.641 ' O ' HG12 ' A' ' 83' ' ' VAL . 87.9 mt -62.47 -23.64 32.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.59 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -85.98 -18.78 31.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.595 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -86.43 -15.34 40.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.57 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.878 ' O ' HG13 ' A' ' 83' ' ' VAL . 8.2 p -89.47 82.61 2.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.585 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.429 ' O ' ' O ' ' A' ' 83' ' ' VAL . 55.3 p-10 -40.3 162.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.567 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 64.3 p -119.61 119.42 33.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.616 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 -148.4 -0.18 0.57 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.489 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.686 ' O ' HG12 ' A' ' 91' ' ' VAL . 44.0 t -176.04 88.7 0.28 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.504 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.487 ' O ' ' CB ' ' A' ' 92' ' ' PHE . 37.4 Cg_endo -69.37 -14.56 37.54 Favored 'Trans proline' 0 C--N 1.306 -1.692 0 C-N-CA 122.829 2.352 . . . . 0.0 112.068 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 34.2 ptt-85 -86.42 -35.06 19.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.55 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -78.92 -57.9 3.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.528 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.686 HG12 ' O ' ' A' ' 87' ' ' SER . 10.3 p -56.71 -51.63 64.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.532 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.665 ' N ' HG13 ' A' ' 91' ' ' VAL . 71.8 t80 -46.02 -52.12 12.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.473 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 91.3 t80 -68.29 -29.95 68.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.432 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 15.3 tpp180 -71.98 -57.18 4.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.495 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.613 HG23 ' N ' ' A' ' 96' ' ' ALA . 28.1 m -60.16 -47.8 90.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.45 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.613 ' N ' HG23 ' A' ' 95' ' ' VAL . . . -55.34 -27.71 48.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.469 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -81.71 -38.86 25.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.522 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.407 ' O ' ' C ' ' A' ' 99' ' ' MET . 99.4 m-20 -63.25 -38.58 91.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.612 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' MET . . . . . 0.543 ' HB2' HH21 ' A' ' 109' ' ' ARG . 64.8 mtt -38.44 -68.72 0.15 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.559 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.6 ' CD2' ' O ' ' A' ' 100' ' ' PHE . 17.2 p90 -111.39 57.42 0.63 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.544 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.2 t -74.59 -26.84 60.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.579 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' ASP . . . . . 0.531 ' O ' ' C ' ' A' ' 103' ' ' GLY . 55.6 p-10 -155.64 -18.29 0.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.542 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.531 ' C ' ' O ' ' A' ' 102' ' ' ASP . . . -26.45 -80.61 0.01 OUTLIER Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.916 -0.873 . . . . 0.0 110.916 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' ASN . . . . . 0.606 ' O ' ' CG ' ' A' ' 105' ' ' PHE . 8.3 m-20 174.47 34.35 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.764 0.316 . . . . 0.0 110.587 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.606 ' CG ' ' O ' ' A' ' 104' ' ' ASN . 29.5 p90 42.58 29.12 0.14 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.597 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.52 ' CG ' ' H ' ' A' ' 107' ' ' TRP . 28.5 p30 -52.1 -110.54 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.499 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' TRP . . . . . 0.541 ' HE1' HD12 ' A' ' 148' ' ' LEU . 6.5 t90 174.66 -26.13 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.587 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' GLY . . . . . 0.588 ' O ' HG12 ' A' ' 111' ' ' VAL . . . -50.12 -42.12 39.59 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.934 -0.867 . . . . 0.0 110.934 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' ARG . . . . . 0.543 HH21 ' HB2' ' A' ' 99' ' ' MET . 0.0 OUTLIER -48.14 -26.1 1.74 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.775 0.322 . . . . 0.0 110.522 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.539 HG21 ' NE1' ' A' ' 107' ' ' TRP . 36.2 t -52.52 -57.86 3.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.582 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.588 HG12 ' O ' ' A' ' 108' ' ' GLY . 4.7 p -45.35 -46.71 3.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.503 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.579 ' N ' HG13 ' A' ' 111' ' ' VAL . . . -58.08 -35.25 71.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.471 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.674 ' O ' HD23 ' A' ' 113' ' ' LEU . 2.1 tt -56.73 -46.83 81.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.581 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' PHE . . . . . 0.412 ' CZ ' ' CG1' ' A' ' 110' ' ' VAL . 10.8 m-85 -57.12 -44.09 82.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.607 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 93.1 t80 -67.98 -43.71 78.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.564 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.443 ' CE2' HG21 ' A' ' 95' ' ' VAL . 92.2 t80 -58.94 -42.01 88.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.536 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.474 ' O ' HG23 ' A' ' 121' ' ' VAL . . . -70.74 -32.72 69.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.581 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 4.7 t -48.42 -44.53 35.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.625 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.851 ' HZ2' HE22 ' A' ' 77' ' ' GLN . 58.2 mmtt -59.6 -43.67 93.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.569 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 52.9 mt -67.94 -31.63 71.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.526 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.743 HG13 HG23 ' A' ' 133' ' ' ILE . 60.9 t -76.92 -53.49 14.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.554 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.473 HD22 ' CB ' ' A' ' 35' ' ' ALA . 70.9 mt -72.91 -40.95 65.06 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.552 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.822 ' CB ' ' O ' ' A' ' 119' ' ' LYS . 88.7 tttt -58.03 -41.23 82.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.526 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.526 ' O ' ' OG1' ' A' ' 127' ' ' THR . . . -75.55 -22.18 57.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.578 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 50.5 tp -62.82 -32.29 73.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.629 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 126' ' ' CYS . . . . . 0.446 ' SG ' ' N ' ' A' ' 127' ' ' THR . 16.8 p -82.97 -36.0 25.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.582 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.748 ' O ' ' HB2' ' A' ' 128' ' ' LYS . 35.4 p -53.3 -19.12 2.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.557 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 128' ' ' LYS . . . . . 0.748 ' HB2' ' O ' ' A' ' 127' ' ' THR . 62.1 mttm 87.84 44.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.487 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 129' ' ' VAL . . . . . 0.492 ' CG2' ' OG1' ' A' ' 127' ' ' THR . 0.4 OUTLIER -147.73 89.92 5.26 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.609 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 130' ' ' PRO . . . . . 0.401 ' HA ' HG12 ' A' ' 133' ' ' ILE . 43.3 Cg_endo -71.58 -14.95 30.67 Favored 'Trans proline' 0 C--N 1.304 -1.775 0 C-N-CA 122.82 2.347 . . . . 0.0 112.067 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -64.6 -39.97 94.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.499 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 2.3 tp -62.24 -32.62 73.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.53 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.743 HG23 HG13 ' A' ' 121' ' ' VAL . 21.8 mm -58.72 -49.39 82.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.523 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 43.2 ttm180 -69.47 -34.67 74.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.439 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 24.2 m -67.28 -31.67 72.14 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.558 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 136' ' ' ILE . . . . . 0.421 HG21 ' CG2' ' A' ' 121' ' ' VAL . 46.3 mt -70.03 -58.72 4.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.495 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 6.1 mtp -46.57 -25.4 0.69 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.526 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -68.76 -40.44 85.23 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.835 -0.906 . . . . 0.0 110.835 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -66.36 -24.47 66.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.801 0.334 . . . . 0.0 110.568 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 140' ' ' THR . . . . . 0.503 ' OG1' ' N ' ' A' ' 141' ' ' LEU . 15.4 p -75.46 -65.96 0.83 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.535 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 141' ' ' LEU . . . . . 0.503 ' N ' ' OG1' ' A' ' 140' ' ' THR . 54.9 mt -51.71 -33.62 35.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.562 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -65.69 -51.08 62.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.6 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 143' ' ' PHE . . . . . 0.443 ' O ' ' HB2' ' A' ' 147' ' ' ARG . 5.9 t80 -66.81 -38.89 87.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.57 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.505 ' HA ' HD23 ' A' ' 148' ' ' LEU . 0.4 OUTLIER -71.04 -35.48 71.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.557 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 57.7 ttp180 -83.05 -10.72 58.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.54 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -112.04 -4.5 14.46 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.533 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 147' ' ' ARG . . . . . 1.152 ' O ' ' N ' ' A' ' 149' ' ' LEU . 10.6 mtp180 -142.25 -110.93 0.13 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.533 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 148' ' ' LEU . . . . . 0.844 ' H ' HD22 ' A' ' 148' ' ' LEU . 1.0 OUTLIER -15.42 -27.74 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.524 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 149' ' ' LEU . . . . . 1.152 ' N ' ' O ' ' A' ' 147' ' ' ARG . 56.2 tp -49.11 -56.28 9.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.565 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -63.97 -50.64 59.44 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 151' ' ' TRP . . . . . . . . . . . . . 30.6 m95 -66.16 -55.78 14.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.879 0.371 . . . . 0.0 110.689 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 152' ' ' ILE . . . . . 0.699 ' N ' ' O ' ' A' ' 148' ' ' LEU . 9.4 tt -51.34 -34.37 14.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.579 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 153' ' ' GLN . . . . . 0.516 ' OE1' HD11 ' A' ' 149' ' ' LEU . 10.9 mt-30 -67.44 -31.29 71.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.619 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -88.96 -4.59 58.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.623 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -97.5 0.74 48.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.541 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 83.72 24.59 49.25 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 89.85 -160.31 28.61 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 158' ' ' TRP . . . . . 0.465 ' HE1' HG23 ' A' ' 19' ' ' ILE . 55.7 m95 -74.02 -5.56 42.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.761 0.315 . . . . 0.0 110.548 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -60.85 -42.52 97.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.554 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -54.35 -32.19 51.55 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.951 -0.859 . . . . 0.0 110.951 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 161' ' ' LEU . . . . . 0.58 ' O ' HD23 ' A' ' 161' ' ' LEU . 1.9 tt -62.98 -54.17 42.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.814 0.34 . . . . 0.0 110.496 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 55.2 tp -66.84 -31.24 71.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.539 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 5.1 t -66.6 -26.6 67.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.554 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 93.1 t80 -76.17 -42.86 45.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.564 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -71.61 47.91 0.14 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.569 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -130.8 38.94 1.86 Allowed Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 167' ' ' THR . . . . . 1.088 ' OG1' ' HD2' ' A' ' 168' ' ' PRO . 0.6 OUTLIER -108.5 -179.0 0.62 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 120.913 0.387 . . . . 0.0 110.544 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 168' ' ' PRO . . . . . 1.088 ' HD2' ' OG1' ' A' ' 167' ' ' THR . 56.3 Cg_endo -74.61 -146.75 0.03 OUTLIER 'Trans proline' 0 C--N 1.305 -1.761 0 C-N-CA 122.86 2.374 . . . . 0.0 112.136 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 169' ' ' THR . . . . . 0.599 ' C ' ' O ' ' A' ' 168' ' ' PRO . 9.4 p -21.6 100.41 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.627 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 170' ' ' TRP . . . . . 0.688 ' O ' HG22 ' A' ' 173' ' ' VAL . 28.0 p90 -64.43 -18.59 64.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.534 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 171' ' ' GLN . . . . . 0.428 HE21 ' HB2' ' A' ' 171' ' ' GLN . 0.0 OUTLIER -47.29 -13.96 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.557 -179.955 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 172' ' ' THR . . . . . 0.528 ' O ' HG22 ' A' ' 175' ' ' ILE . 5.2 m -87.13 -29.47 21.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.52 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 173' ' ' VAL . . . . . 0.688 HG22 ' O ' ' A' ' 170' ' ' TRP . 2.1 m -72.09 -45.64 62.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.504 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 174' ' ' THR . . . . . 0.562 ' N ' ' CG2' ' A' ' 173' ' ' VAL . 25.2 m -64.56 -24.95 67.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.521 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 175' ' ' ILE . . . . . 0.528 HG22 ' O ' ' A' ' 172' ' ' THR . 1.8 tt -85.76 -7.53 10.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.57 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 176' ' ' PHE . . . . . 0.482 ' O ' HG12 ' A' ' 180' ' ' VAL . 63.6 t80 -94.56 -60.13 1.78 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.567 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 3.2 m -62.1 -16.72 16.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.573 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 178' ' ' ALA . . . . . 0.61 ' O ' ' OG1' ' A' ' 182' ' ' THR . . . -95.48 -45.98 6.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.527 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -62.29 -26.2 67.56 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 180' ' ' VAL . . . . . 0.697 HG13 ' N ' ' A' ' 181' ' ' LEU . 13.6 p -86.13 -51.8 12.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.885 0.374 . . . . 0.0 110.591 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 181' ' ' LEU . . . . . 0.697 ' N ' HG13 ' A' ' 180' ' ' VAL . 38.6 tp -69.32 -47.93 63.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.545 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 182' ' ' THR . . . . . 0.61 ' OG1' ' O ' ' A' ' 178' ' ' ALA . 27.7 m -50.55 -51.35 48.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.514 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -47.43 -45.69 25.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.533 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 184' ' ' SER . . . . . . . . . . . . . 28.7 t -54.47 -37.83 65.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.603 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 65.8 mt -77.62 -21.78 51.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.524 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 21.5 m -73.28 -44.77 58.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.597 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 187' ' ' ILE . . . . . 0.641 HG23 ' N ' ' A' ' 188' ' ' TRP . 12.7 tt -73.78 -51.56 24.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.573 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 188' ' ' TRP . . . . . 0.641 ' N ' HG23 ' A' ' 187' ' ' ILE . 0.1 OUTLIER -30.82 -56.89 0.22 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.575 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 8.0 mmtt -175.74 128.26 0.24 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.542 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 190' ' ' LYS . . . . . . . . . . . . . 14.4 ptmt -109.87 89.58 3.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.611 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 191' ' ' MET . . . . . . . . . . . . . 84.4 mtp -128.67 136.51 50.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.614 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.775 0 CA-C-O 118.044 -1.42 . . . . 0.0 110.895 -179.975 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.852 ' O ' HD12 ' A' ' 19' ' ' ILE . 22.5 p . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.884 0.373 . . . . 0.0 110.424 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 62.5 m -94.5 -15.72 23.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.724 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -91.67 -51.74 5.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.565 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -55.62 -32.97 63.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.772 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.852 HD12 ' O ' ' A' ' 15' ' ' SER . 65.5 mt -75.11 -51.45 21.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.742 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 13.0 ttt -56.94 -36.09 69.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.809 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -68.05 -44.12 77.12 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.71 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 41.3 p -72.59 -13.67 61.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.662 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -74.51 -54.29 6.15 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.439 ' O ' ' HB2' ' A' ' 28' ' ' GLN . . . -77.45 -10.32 59.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.853 0.359 . . . . 0.0 110.646 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.53 ' O ' ' C ' ' A' ' 26' ' ' LEU . 33.6 tp -86.53 -78.43 0.29 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.608 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.53 ' C ' ' O ' ' A' ' 25' ' ' LEU . 56.4 tp -29.14 -64.55 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.614 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.452 ' O ' HG12 ' A' ' 31' ' ' ILE . 60.0 tp -52.46 -56.32 15.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.546 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.618 ' CG ' HD21 ' A' ' 45' ' ' LEU . 51.5 tt0 -48.77 -17.97 0.23 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.598 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.528 ' O ' ' N ' ' A' ' 31' ' ' ILE . . . -88.76 -72.13 1.27 Allowed Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -42.53 -18.98 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.837 0.351 . . . . 0.0 110.56 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.754 HD12 HG11 ' A' ' 121' ' ' VAL . 4.0 mm -77.01 -68.84 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.593 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.613 ' HB2' HD22 ' A' ' 45' ' ' LEU . 31.3 tt0 -79.16 29.78 0.22 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.604 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.41 ' H ' ' C ' ' A' ' 31' ' ' ILE . 68.3 t0 -112.76 -51.03 2.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.503 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 -91.24 -26.96 18.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.532 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.468 ' CB ' HD22 ' A' ' 122' ' ' LEU . . . -98.64 -13.24 20.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.576 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.629 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 -179.958 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo . . . . . 0 N--CA 1.49 1.317 0 CA-C-O 120.779 0.241 . . . . 0.0 112.17 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -72.83 -19.07 61.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.534 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.845 ' O ' HD23 ' A' ' 45' ' ' LEU . 3.1 tt -92.34 73.01 5.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.538 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.406 ' O ' ' HG ' ' A' ' 47' ' ' LEU . . . -90.31 131.6 36.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.566 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.516 ' CB ' ' NE2' ' A' ' 28' ' ' GLN . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.584 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.423 ' OD1' ' N ' ' A' ' 53' ' ' ASP . 29.5 p-10 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.762 0.315 . . . . 0.0 110.628 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -84.19 -1.44 55.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.58 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 58.5 m -61.22 -39.83 91.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.558 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.511 HG21 HD21 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -82.39 -33.78 28.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.608 179.923 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 31.7 ttpt -50.0 -54.74 18.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.6 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 30.2 ttpt -59.92 -47.94 83.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.583 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.627 ' O ' HD23 ' A' ' 59' ' ' LEU . 0.8 OUTLIER -61.83 -26.12 67.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.551 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.8 t -71.51 -35.27 70.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.569 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -64.08 -31.53 72.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.55 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.431 ' O ' HG22 ' A' ' 66' ' ' ILE . 92.1 m -64.45 -37.74 88.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.519 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.481 ' N ' HD12 ' A' ' 63' ' ' LEU . 9.0 mp -75.41 -24.6 57.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.591 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.0 ttpm? -84.26 -36.64 22.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.58 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.438 ' O ' ' OE2' ' A' ' 69' ' ' GLU . 95.0 mtt180 -68.61 -44.44 74.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.535 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.431 HG22 ' O ' ' A' ' 62' ' ' CYS . 20.6 tt -76.44 -35.11 25.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.547 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.425 ' O ' ' CB ' ' A' ' 71' ' ' ASP . . . -60.95 -45.45 96.56 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.425 ' OD1' ' O ' ' A' ' 68' ' ' ASP . 68.3 t0 -62.7 -34.29 76.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.753 0.311 . . . . 0.0 110.599 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.541 ' OE1' ' N ' ' A' ' 69' ' ' GLU . 0.3 OUTLIER -79.71 -58.36 3.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.578 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.26 -43.02 74.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.547 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.432 ' OD1' ' O ' ' A' ' 71' ' ' ASP . 53.2 t0 -65.13 -8.69 17.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.553 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.5 t -96.37 7.0 47.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.592 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -92.96 111.43 23.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.608 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 89.5 mtp -68.23 -11.18 58.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.528 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -80.51 -67.23 0.79 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.513 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 7.7 tp -59.93 -40.12 87.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.574 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 10.7 tm0? -61.91 -37.9 86.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.571 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 75.5 ttt180 -68.49 -44.93 73.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.536 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.485 ' SD ' HG23 ' A' ' 182' ' ' THR . 73.9 mtp -54.54 -43.87 72.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.577 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.637 ' O ' HG12 ' A' ' 83' ' ' VAL . 85.5 mt -62.46 -23.53 32.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.6 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -86.27 -18.6 31.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.555 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -86.69 -14.88 41.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.544 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.872 ' O ' HG13 ' A' ' 83' ' ' VAL . 8.1 p -89.96 82.06 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.551 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.444 ' O ' ' O ' ' A' ' 83' ' ' VAL . 43.6 p30 -39.9 162.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.557 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 97.8 m -119.49 119.07 32.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.656 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -147.6 -0.28 0.65 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.475 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.714 ' O ' HG12 ' A' ' 91' ' ' VAL . 47.4 t -176.12 90.47 0.27 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.491 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.477 ' O ' ' CB ' ' A' ' 92' ' ' PHE . 42.8 Cg_endo -71.03 -13.98 31.81 Favored 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 122.847 2.365 . . . . 0.0 112.127 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 16.1 ptt-85 -87.82 -32.32 19.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.546 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -81.5 -56.55 3.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.504 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.714 HG12 ' O ' ' A' ' 87' ' ' SER . 9.3 p -58.54 -50.43 78.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.529 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.643 ' N ' HG13 ' A' ' 91' ' ' VAL . 85.8 t80 -46.97 -51.28 17.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.478 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -68.62 -30.2 68.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.51 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 15.5 tpp180 -71.87 -57.65 4.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.555 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.621 HG23 ' N ' ' A' ' 96' ' ' ALA . 28.3 m -59.56 -47.84 89.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.528 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.621 ' N ' HG23 ' A' ' 95' ' ' VAL . . . -55.45 -27.69 49.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.462 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -81.76 -38.89 24.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.508 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.407 ' O ' ' C ' ' A' ' 99' ' ' MET . 99.8 m-20 -63.3 -38.56 91.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.578 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' MET . . . . . 0.407 ' C ' ' O ' ' A' ' 98' ' ' ASP . 63.8 mtt -38.43 -68.78 0.14 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.546 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.608 ' CD2' ' O ' ' A' ' 100' ' ' PHE . 16.3 p90 -111.38 57.46 0.63 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.57 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.2 t -74.59 -26.82 60.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.607 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' ASP . . . . . 0.532 ' O ' ' C ' ' A' ' 103' ' ' GLY . 55.6 p-10 -155.65 -18.18 0.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.539 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.532 ' C ' ' O ' ' A' ' 102' ' ' ASP . . . -26.45 -80.61 0.01 OUTLIER Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' ASN . . . . . 0.606 ' O ' ' CG ' ' A' ' 105' ' ' PHE . 25.9 t-20 174.44 34.49 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.782 0.325 . . . . 0.0 110.612 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.606 ' CG ' ' O ' ' A' ' 104' ' ' ASN . 31.2 p90 42.58 29.01 0.14 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.555 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.519 ' CG ' ' H ' ' A' ' 107' ' ' TRP . 29.0 p30 -52.14 -110.5 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.618 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' TRP . . . . . 0.547 ' NE1' HG21 ' A' ' 110' ' ' VAL . 6.7 t90 174.71 -26.21 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.608 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' GLY . . . . . 0.601 ' O ' HG12 ' A' ' 111' ' ' VAL . . . -49.98 -42.13 38.34 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.959 -0.857 . . . . 0.0 110.959 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 5.7 ppt_? -48.13 -26.15 1.76 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.787 0.327 . . . . 0.0 110.616 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.547 HG21 ' NE1' ' A' ' 107' ' ' TRP . 33.1 t -52.44 -57.98 3.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.491 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.601 HG12 ' O ' ' A' ' 108' ' ' GLY . 4.9 p -45.32 -46.66 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.444 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.581 ' N ' HG13 ' A' ' 111' ' ' VAL . . . -58.06 -35.36 71.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.506 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.641 ' O ' HD23 ' A' ' 113' ' ' LEU . 1.8 tt -56.59 -46.9 80.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.63 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 114' ' ' PHE . . . . . 0.451 ' CZ ' ' CG1' ' A' ' 110' ' ' VAL . 9.8 m-85 -56.98 -44.23 82.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.523 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 92.6 t80 -67.86 -43.82 78.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.591 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.458 ' CE2' HG21 ' A' ' 95' ' ' VAL . 93.2 t80 -58.96 -41.9 88.58 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.514 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -70.78 -32.72 69.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.544 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 4.9 t -48.44 -44.68 35.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.565 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.82 ' O ' ' CB ' ' A' ' 123' ' ' LYS . 55.0 mmtt -59.36 -43.61 92.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.659 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 53.1 mt -68.13 -31.5 71.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.605 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.759 HG13 HG23 ' A' ' 133' ' ' ILE . 75.5 t -76.97 -53.28 15.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.542 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.468 HD22 ' CB ' ' A' ' 35' ' ' ALA . 68.6 mt -73.18 -40.57 64.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.564 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.82 ' CB ' ' O ' ' A' ' 119' ' ' LYS . 88.7 tttt -58.41 -40.91 83.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.53 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.523 ' O ' ' OG1' ' A' ' 127' ' ' THR . . . -76.09 -21.26 56.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.562 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 6.9 tp -63.62 -31.26 72.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.607 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 126' ' ' CYS . . . . . 0.455 ' SG ' ' N ' ' A' ' 127' ' ' THR . 13.8 p -84.84 -34.54 22.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.601 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.784 ' O ' ' HB2' ' A' ' 128' ' ' LYS . 26.3 p -53.96 -18.32 3.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.565 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 128' ' ' LYS . . . . . 0.784 ' HB2' ' O ' ' A' ' 127' ' ' THR . 26.9 mmtp 88.07 42.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.573 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 129' ' ' VAL . . . . . 0.47 HG22 ' OG1' ' A' ' 127' ' ' THR . 1.7 m -146.96 92.99 4.85 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.626 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -74.91 -13.33 21.66 Favored 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 122.845 2.364 . . . . 0.0 112.074 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 131' ' ' GLU . . . . . 0.776 ' O ' HG23 ' A' ' 135' ' ' THR . 78.8 tt0 -66.22 -38.83 88.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.564 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.52 ' HA ' ' OG1' ' A' ' 135' ' ' THR . 2.4 tp -63.06 -31.87 73.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.529 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.759 HG23 HG13 ' A' ' 121' ' ' VAL . 8.0 mm -59.28 -49.09 84.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.482 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 88.7 mtm180 -69.55 -34.66 74.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.485 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 135' ' ' THR . . . . . 0.776 HG23 ' O ' ' A' ' 131' ' ' GLU . 61.7 p -67.31 -32.04 72.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.486 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 136' ' ' ILE . . . . . 0.431 HG21 ' CG2' ' A' ' 121' ' ' VAL . 47.2 mt -69.72 -58.6 5.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.561 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 55.2 mtt -46.71 -25.44 0.73 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.442 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -68.71 -40.58 85.4 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 139' ' ' TRP . . . . . 0.566 ' CD1' ' N ' ' A' ' 139' ' ' TRP . 7.5 m0 -66.23 -24.44 66.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.778 0.323 . . . . 0.0 110.554 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 140' ' ' THR . . . . . 0.475 ' OG1' ' N ' ' A' ' 141' ' ' LEU . 21.1 p -75.58 -65.89 0.84 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.535 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 141' ' ' LEU . . . . . 0.475 ' N ' ' OG1' ' A' ' 140' ' ' THR . 52.8 mt -51.86 -33.44 36.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.578 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -65.83 -51.05 62.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.533 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 143' ' ' PHE . . . . . 0.452 ' O ' ' HB2' ' A' ' 147' ' ' ARG . 6.4 t80 -66.83 -38.83 87.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.565 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.582 HD12 ' HB2' ' A' ' 148' ' ' LEU . 2.0 tp -71.15 -35.55 71.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.476 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 57.9 ttp180 -83.01 -10.62 58.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.574 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -112.04 -4.62 14.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.582 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 147' ' ' ARG . . . . . 1.152 ' O ' ' N ' ' A' ' 149' ' ' LEU . 19.5 mtp180 -142.23 -110.88 0.13 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.546 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 148' ' ' LEU . . . . . 0.834 ' H ' HD22 ' A' ' 148' ' ' LEU . 1.0 OUTLIER -15.29 -27.83 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.595 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 149' ' ' LEU . . . . . 1.152 ' N ' ' O ' ' A' ' 147' ' ' ARG . 59.3 tp -49.09 -56.31 9.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.54 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -63.87 -50.65 59.59 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 151' ' ' TRP . . . . . . . . . . . . . 99.4 m95 -66.26 -55.81 14.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.791 0.329 . . . . 0.0 110.541 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 152' ' ' ILE . . . . . 0.697 ' N ' ' O ' ' A' ' 148' ' ' LEU . 10.3 tt -51.31 -34.41 14.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.561 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 153' ' ' GLN . . . . . 0.565 ' NE2' HD11 ' A' ' 149' ' ' LEU . 50.9 mt-30 -67.41 -31.42 71.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.528 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -88.83 -4.62 58.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.639 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -97.49 0.89 48.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.54 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 83.6 24.76 49.16 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 89.7 -160.42 28.87 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.874 -0.891 . . . . 0.0 110.874 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 158' ' ' TRP . . . . . 0.437 ' CD1' HD11 ' A' ' 152' ' ' ILE . 37.7 m95 -73.86 -5.66 42.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.812 0.339 . . . . 0.0 110.57 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -60.83 -42.46 97.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.539 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -54.35 -32.37 51.76 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 161' ' ' LEU . . . . . 0.579 ' O ' HD23 ' A' ' 161' ' ' LEU . 2.0 tt -62.83 -54.15 43.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.708 0.29 . . . . 0.0 110.513 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 48.6 tp -66.85 -31.23 71.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.582 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 20.9 t -66.54 -26.83 67.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.554 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 94.5 t80 -75.79 -42.97 48.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.567 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -71.82 47.88 0.15 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.537 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -130.5 39.08 1.85 Allowed Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 167' ' ' THR . . . . . 1.177 ' OG1' ' HD2' ' A' ' 168' ' ' PRO . 0.6 OUTLIER -108.6 -176.45 0.4 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 120.978 0.418 . . . . 0.0 110.594 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 168' ' ' PRO . . . . . 1.177 ' HD2' ' OG1' ' A' ' 167' ' ' THR . 61.3 Cg_endo -77.67 -147.76 0.03 OUTLIER 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 122.896 2.398 . . . . 0.0 112.212 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 169' ' ' THR . . . . . 0.606 ' C ' ' O ' ' A' ' 168' ' ' PRO . 20.8 p -20.28 98.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.611 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 170' ' ' TRP . . . . . 0.683 ' O ' HG22 ' A' ' 173' ' ' VAL . 30.8 p90 -63.19 -18.48 63.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.58 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 171' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.37 -13.83 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.556 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 172' ' ' THR . . . . . 0.512 ' O ' HG22 ' A' ' 175' ' ' ILE . 5.5 m -87.34 -29.58 21.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.493 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 173' ' ' VAL . . . . . 0.683 HG22 ' O ' ' A' ' 170' ' ' TRP . 2.0 m -71.94 -45.68 63.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.604 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 174' ' ' THR . . . . . 0.566 ' N ' ' CG2' ' A' ' 173' ' ' VAL . 24.9 m -64.51 -25.04 67.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.526 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 175' ' ' ILE . . . . . 0.512 HG22 ' O ' ' A' ' 172' ' ' THR . 1.6 tt -85.68 -7.62 10.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.57 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 176' ' ' PHE . . . . . 0.482 ' O ' HG12 ' A' ' 180' ' ' VAL . 64.1 t80 -94.48 -60.17 1.78 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.617 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 3.0 m -62.02 -16.71 16.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.586 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 178' ' ' ALA . . . . . 0.621 ' O ' ' OG1' ' A' ' 182' ' ' THR . . . -95.51 -45.92 6.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.608 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -62.28 -26.18 67.52 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 180' ' ' VAL . . . . . 0.699 HG13 ' N ' ' A' ' 181' ' ' LEU . 13.7 p -86.26 -51.73 12.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.793 0.33 . . . . 0.0 110.553 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 181' ' ' LEU . . . . . 0.699 ' N ' HG13 ' A' ' 180' ' ' VAL . 41.3 tp -69.27 -48.01 62.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.553 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 182' ' ' THR . . . . . 0.621 ' OG1' ' O ' ' A' ' 178' ' ' ALA . 26.1 m -50.53 -51.26 49.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.597 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -47.47 -45.63 26.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.547 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 184' ' ' SER . . . . . . . . . . . . . 27.5 t -54.52 -37.77 65.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.616 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 61.6 mt -77.7 -21.68 51.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.569 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 21.0 m -73.27 -44.83 58.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.524 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 187' ' ' ILE . . . . . 0.637 HG23 ' N ' ' A' ' 188' ' ' TRP . 12.5 tt -73.68 -51.59 24.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.614 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 188' ' ' TRP . . . . . 0.637 ' N ' HG23 ' A' ' 187' ' ' ILE . 0.2 OUTLIER -30.75 -56.94 0.22 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.593 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 8.0 mmtt -175.75 128.29 0.24 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.581 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 190' ' ' LYS . . . . . . . . . . . . . 14.8 ptmt -109.91 89.53 3.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.564 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 191' ' ' MET . . . . . . . . . . . . . 83.7 mtp -128.62 136.57 50.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.609 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.711 0 CA-C-O 118.04 -1.422 . . . . 0.0 110.938 -179.934 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.86 ' O ' HD12 ' A' ' 19' ' ' ILE . 2.9 p . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.737 0.303 . . . . 0.0 110.61 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.47 ' H ' ' HB2' ' A' ' 15' ' ' SER . 49.3 m -99.88 -13.25 19.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.597 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -84.83 -47.94 9.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.47 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.516 ' CD ' ' O ' ' A' ' 18' ' ' GLN . 20.5 tm0? -66.46 -23.1 66.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.582 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.86 HD12 ' O ' ' A' ' 15' ' ' SER . 93.8 mt -82.02 -55.26 8.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.51 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.42 ' SD ' ' C ' ' A' ' 20' ' ' MET . 10.2 tmm? -52.82 -37.15 59.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.527 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 29.0 ttmt -66.77 -47.06 73.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.453 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.501 HG22 ' O ' ' A' ' 22' ' ' THR . 92.8 m -71.35 -7.99 50.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.566 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -79.54 -54.23 4.06 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.44 -8.96 59.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.804 0.335 . . . . 0.0 110.522 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.548 ' O ' ' C ' ' A' ' 26' ' ' LEU . 23.0 mt -86.88 -80.49 0.24 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.613 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.548 ' C ' ' O ' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -27.07 -65.71 0.07 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.642 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.421 ' C ' ' N ' ' A' ' 29' ' ' GLY . 6.2 tp -51.23 -57.8 7.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.598 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.421 ' HG3' HD23 ' A' ' 47' ' ' LEU . 1.3 tm0? -47.48 -18.0 0.11 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.539 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.541 ' O ' ' N ' ' A' ' 31' ' ' ILE . . . -88.7 -72.65 1.28 Allowed Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 42.0 t80 -42.15 -18.91 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.839 0.352 . . . . 0.0 110.623 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.541 ' N ' ' O ' ' A' ' 29' ' ' GLY . 73.8 mt -76.96 -69.2 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.575 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -78.99 30.14 0.21 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.589 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.413 ' H ' ' C ' ' A' ' 31' ' ' ILE . 66.4 t0 -113.06 -50.78 2.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.589 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 15.2 ptm180 -91.57 -26.74 18.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.599 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.47 ' CB ' HD22 ' A' ' 122' ' ' LEU . . . -99.01 -13.63 19.81 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.596 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.638 0 N-CA-C 110.986 -0.845 . . . . 0.0 110.986 179.95 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo . . . . . 0 N--CA 1.491 1.349 0 CA-C-O 120.734 0.222 . . . . 0.0 112.115 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 75.1 mt-10 -92.48 -11.86 33.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.565 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.49 HD22 ' HA ' ' A' ' 45' ' ' LEU . 0.3 OUTLIER -98.85 63.54 1.39 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.592 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.424 ' O ' ' HB2' ' A' ' 47' ' ' LEU . . . -70.94 141.09 51.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.529 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.424 ' HB2' ' O ' ' A' ' 46' ' ' ALA . 56.2 tp . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.544 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.798 0.332 . . . . 0.0 110.591 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -80.18 -1.03 38.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.542 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.604 ' O ' HD13 ' A' ' 59' ' ' LEU . 11.4 t -60.12 -39.84 87.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.592 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.8 p -81.97 -34.0 29.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.572 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 66.5 mmtt -50.17 -54.87 17.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.586 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -59.84 -47.77 84.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.629 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.604 HD13 ' O ' ' A' ' 55' ' ' SER . 3.8 mp -61.94 -26.28 68.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.491 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.4 t -71.37 -35.38 71.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.566 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -63.84 -31.72 73.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.545 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 95.3 m -64.35 -37.74 88.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.572 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.435 ' N ' HD12 ' A' ' 63' ' ' LEU . 11.2 mp -75.3 -24.76 57.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.53 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 25.1 ttpp -84.22 -36.68 22.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.59 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -68.46 -44.5 74.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.529 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 18.4 tt -76.43 -35.13 26.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.555 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.425 ' O ' ' CB ' ' A' ' 71' ' ' ASP . . . -61.06 -45.42 96.62 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.421 ' OD1' ' O ' ' A' ' 68' ' ' ASP . 68.0 t0 -62.78 -34.21 76.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.748 0.309 . . . . 0.0 110.592 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 41.8 tp10 -79.71 -58.49 3.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.597 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 2.1 mt -55.09 -43.13 73.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.559 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.436 ' OD1' ' O ' ' A' ' 71' ' ' ASP . 55.4 t0 -65.05 -8.78 17.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.593 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.9 t -96.33 7.07 47.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.572 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -92.9 111.48 23.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.597 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 6.9 ptt? -68.35 -11.24 59.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.543 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -80.32 -67.32 0.78 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.6 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 51.5 tp -59.82 -40.24 87.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.545 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 3.4 tm0? -61.82 -37.94 86.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.511 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 77.3 ttt180 -68.53 -44.89 73.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.5 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.481 ' SD ' HG23 ' A' ' 182' ' ' THR . 73.5 mtp -54.59 -43.84 72.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.566 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.641 ' O ' HG12 ' A' ' 83' ' ' VAL . 84.8 mt -62.44 -23.68 32.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.566 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -86.03 -18.71 31.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.577 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -86.55 -15.02 41.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.592 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.874 ' O ' HG13 ' A' ' 83' ' ' VAL . 8.0 p -89.86 82.55 2.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.603 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.41 ' O ' ' O ' ' A' ' 83' ' ' VAL . 54.8 p-10 -40.84 162.06 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.536 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 87.8 m -119.39 120.53 37.15 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.62 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 29.8 t0 -149.0 -0.49 0.51 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.495 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.681 ' O ' HG12 ' A' ' 91' ' ' VAL . 44.9 t -175.41 87.27 0.3 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.487 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.503 ' O ' ' CB ' ' A' ' 92' ' ' PHE . 34.8 Cg_endo -67.86 -15.8 44.59 Favored 'Trans proline' 0 C--N 1.304 -1.765 0 C-N-CA 122.765 2.31 . . . . 0.0 112.106 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 15.3 ptt-85 -85.84 -34.51 21.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.501 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -78.85 -57.74 3.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.595 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.681 HG12 ' O ' ' A' ' 87' ' ' SER . 9.2 p -57.32 -51.51 68.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.551 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.661 ' N ' HG13 ' A' ' 91' ' ' VAL . 74.4 t80 -45.84 -52.4 11.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.494 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 91.3 t80 -67.92 -30.0 69.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.581 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 16.2 tpp180 -71.8 -57.43 4.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.545 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.617 HG23 ' N ' ' A' ' 96' ' ' ALA . 26.6 m -59.93 -47.81 90.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.572 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.617 ' N ' HG23 ' A' ' 95' ' ' VAL . . . -55.2 -27.77 48.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.531 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -81.71 -38.86 25.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.544 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.407 ' O ' ' C ' ' A' ' 99' ' ' MET . 99.6 m-20 -63.3 -38.67 92.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.495 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' MET . . . . . 0.407 ' C ' ' O ' ' A' ' 98' ' ' ASP . 65.1 mtt -38.39 -68.75 0.14 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.639 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.663 ' CG ' ' NH2' ' A' ' 109' ' ' ARG . 9.2 p90 -111.35 57.49 0.63 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.614 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.2 t -74.61 -26.88 60.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.596 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' ASP . . . . . 0.534 ' O ' ' C ' ' A' ' 103' ' ' GLY . 54.1 p-10 -155.58 -18.3 0.11 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.561 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.534 ' C ' ' O ' ' A' ' 102' ' ' ASP . . . -26.43 -80.71 0.01 OUTLIER Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' ASN . . . . . 0.608 ' O ' ' CG ' ' A' ' 105' ' ' PHE . 9.2 m-20 174.53 34.42 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.749 0.309 . . . . 0.0 110.572 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.608 ' CG ' ' O ' ' A' ' 104' ' ' ASN . 29.5 p90 42.67 29.1 0.15 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.571 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.538 ' OD1' ' NE ' ' A' ' 109' ' ' ARG . 5.1 p-10 -52.13 -110.47 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.582 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' TRP . . . . . 0.551 ' NE1' HG21 ' A' ' 110' ' ' VAL . 6.7 t90 174.54 -26.12 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.561 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' GLY . . . . . 0.585 ' O ' HG12 ' A' ' 111' ' ' VAL . . . -50.06 -42.22 39.22 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' ARG . . . . . 0.746 ' CD ' ' H ' ' A' ' 109' ' ' ARG . 0.0 OUTLIER -47.98 -26.24 1.69 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.831 0.348 . . . . 0.0 110.624 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.551 HG21 ' NE1' ' A' ' 107' ' ' TRP . 34.6 t -52.4 -57.96 3.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.52 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.585 HG12 ' O ' ' A' ' 108' ' ' GLY . 4.6 p -45.28 -46.82 3.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.529 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.58 ' N ' HG13 ' A' ' 111' ' ' VAL . . . -58.11 -34.84 70.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.509 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.68 ' O ' HD23 ' A' ' 113' ' ' LEU . 2.2 tt -56.99 -46.88 81.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.583 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -57.26 -43.96 83.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.557 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 92.3 t80 -67.94 -43.58 78.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.536 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.447 ' CE2' HG21 ' A' ' 95' ' ' VAL . 91.9 t80 -59.16 -41.78 89.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.529 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.509 ' O ' HG23 ' A' ' 121' ' ' VAL . . . -71.0 -32.51 69.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.499 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 5.7 t -48.68 -44.28 37.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.553 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.82 ' O ' ' CB ' ' A' ' 123' ' ' LYS . 55.9 mmtt -59.8 -43.73 94.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.542 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 53.8 mt -68.02 -31.34 70.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.521 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.706 HG13 HG23 ' A' ' 133' ' ' ILE . 53.8 t -77.11 -53.5 14.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.567 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.47 HD22 ' CB ' ' A' ' 35' ' ' ALA . 70.0 mt -72.87 -41.0 65.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.518 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.82 ' CB ' ' O ' ' A' ' 119' ' ' LYS . 62.6 tttm -58.04 -41.13 82.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.53 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.517 ' O ' ' OG1' ' A' ' 127' ' ' THR . . . -75.67 -21.83 57.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.551 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 6.2 tt -63.23 -32.18 73.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.554 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 85.0 m -83.2 -35.71 25.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.628 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.74 ' O ' ' HB2' ' A' ' 128' ' ' LYS . 36.7 p -53.66 -19.01 3.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.533 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 128' ' ' LYS . . . . . 0.74 ' HB2' ' O ' ' A' ' 127' ' ' THR . 64.2 mttm 87.15 45.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.532 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 129' ' ' VAL . . . . . 0.503 ' CG2' ' OG1' ' A' ' 127' ' ' THR . 0.2 OUTLIER -148.7 88.19 5.32 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.551 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 130' ' ' PRO . . . . . 0.406 ' HA ' HG12 ' A' ' 133' ' ' ILE . 39.7 Cg_endo -70.36 -13.14 32.85 Favored 'Trans proline' 0 C--N 1.307 -1.653 0 C-N-CA 122.769 2.312 . . . . 0.0 112.075 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -65.07 -41.28 95.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.536 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 8.4 mp -61.36 -34.5 75.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.41 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.706 HG23 HG13 ' A' ' 121' ' ' VAL . 21.4 mm -56.14 -50.53 70.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.466 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 41.5 mtm105 -68.95 -34.9 76.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.509 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 16.8 m -67.25 -31.84 72.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.496 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 136' ' ' ILE . . . . . 0.425 HG21 ' CG2' ' A' ' 121' ' ' VAL . 44.4 mt -69.78 -59.02 3.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.485 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 82.7 mtp -46.29 -25.43 0.63 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.537 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -68.81 -40.42 85.02 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -66.4 -24.37 66.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.871 0.367 . . . . 0.0 110.562 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 140' ' ' THR . . . . . 0.47 ' OG1' ' N ' ' A' ' 141' ' ' LEU . 22.4 p -75.57 -65.85 0.85 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.529 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 141' ' ' LEU . . . . . 0.47 ' N ' ' OG1' ' A' ' 140' ' ' THR . 54.2 mt -51.73 -33.69 35.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.525 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -65.73 -51.01 62.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.58 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 143' ' ' PHE . . . . . 0.435 ' O ' ' HB2' ' A' ' 147' ' ' ARG . 4.7 t80 -66.89 -38.82 86.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.551 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.572 HD12 ' HB2' ' A' ' 148' ' ' LEU . 1.8 tp -71.07 -35.52 71.91 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.568 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 58.8 ttp180 -82.97 -10.72 58.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.597 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -111.97 -4.62 14.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.536 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 147' ' ' ARG . . . . . 1.155 ' O ' ' N ' ' A' ' 149' ' ' LEU . 17.9 mtp180 -142.21 -110.84 0.13 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.604 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 148' ' ' LEU . . . . . 0.802 ' H ' HD22 ' A' ' 148' ' ' LEU . 1.0 OUTLIER -15.42 -27.7 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.558 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 149' ' ' LEU . . . . . 1.155 ' N ' ' O ' ' A' ' 147' ' ' ARG . 46.6 tp -49.06 -56.36 9.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.542 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -63.97 -50.57 59.88 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 151' ' ' TRP . . . . . . . . . . . . . 99.5 m95 -66.23 -55.84 14.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.804 0.335 . . . . 0.0 110.595 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 152' ' ' ILE . . . . . 0.698 ' N ' ' O ' ' A' ' 148' ' ' LEU . 10.1 tt -51.33 -34.32 14.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.564 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -67.44 -31.39 71.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.535 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -88.91 -4.6 58.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.543 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -97.41 0.78 48.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.591 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 83.66 24.65 49.29 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 89.81 -160.42 28.73 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 158' ' ' TRP . . . . . 0.435 ' CD1' HD11 ' A' ' 152' ' ' ILE . 52.7 m95 -73.92 -5.57 41.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.768 0.318 . . . . 0.0 110.569 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 159' ' ' ASP . . . . . 0.403 ' C ' ' OD1' ' A' ' 159' ' ' ASP . 62.4 t0 -60.9 -42.48 98.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.579 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -54.43 -32.13 52.04 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 161' ' ' LEU . . . . . 0.592 ' O ' HD23 ' A' ' 161' ' ' LEU . 2.0 tt -62.92 -54.07 44.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.816 0.341 . . . . 0.0 110.514 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 43.8 tp -67.1 -31.05 71.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.539 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 21.3 t -66.77 -26.25 66.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.633 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 90.3 t80 -76.64 -42.67 41.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.556 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -71.66 48.13 0.15 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.539 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -131.11 39.17 1.82 Allowed Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 167' ' ' THR . . . . . 1.134 ' OG1' ' HD2' ' A' ' 168' ' ' PRO . 0.6 OUTLIER -108.73 -179.99 0.77 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 120.935 0.398 . . . . 0.0 110.523 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 168' ' ' PRO . . . . . 1.134 ' HD2' ' OG1' ' A' ' 167' ' ' THR . 50.9 Cg_endo -73.17 -146.26 0.02 OUTLIER 'Trans proline' 0 C--N 1.306 -1.677 0 C-N-CA 122.743 2.295 . . . . 0.0 112.068 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 169' ' ' THR . . . . . 0.595 ' C ' ' O ' ' A' ' 168' ' ' PRO . 4.1 p -22.57 101.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.522 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 170' ' ' TRP . . . . . 0.692 ' O ' HG22 ' A' ' 173' ' ' VAL . 28.3 p90 -65.08 -18.39 65.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.627 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 171' ' ' GLN . . . . . 0.46 HE21 ' HB2' ' A' ' 171' ' ' GLN . 0.0 OUTLIER -47.43 -14.16 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.542 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 172' ' ' THR . . . . . 0.528 ' O ' HG22 ' A' ' 175' ' ' ILE . 97.1 m -86.89 -29.49 22.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.53 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 173' ' ' VAL . . . . . 0.692 HG22 ' O ' ' A' ' 170' ' ' TRP . 2.0 m -72.14 -45.61 61.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.59 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 174' ' ' THR . . . . . 0.564 ' N ' ' CG2' ' A' ' 173' ' ' VAL . 24.9 m -64.55 -24.96 67.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.584 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 175' ' ' ILE . . . . . 0.528 HG22 ' O ' ' A' ' 172' ' ' THR . 1.8 tt -85.73 -7.55 10.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.574 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 176' ' ' PHE . . . . . 0.482 ' O ' HG12 ' A' ' 180' ' ' VAL . 62.3 t80 -94.59 -60.12 1.78 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.568 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 3.1 m -62.11 -16.62 16.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.623 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 178' ' ' ALA . . . . . 0.621 ' O ' ' OG1' ' A' ' 182' ' ' THR . . . -95.58 -46.02 6.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.487 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -62.24 -26.23 67.51 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 180' ' ' VAL . . . . . 0.7 HG13 ' N ' ' A' ' 181' ' ' LEU . 13.6 p -86.17 -51.83 12.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.826 0.346 . . . . 0.0 110.554 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 181' ' ' LEU . . . . . 0.7 ' N ' HG13 ' A' ' 180' ' ' VAL . 45.9 tp -69.24 -48.06 62.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.557 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 182' ' ' THR . . . . . 0.621 ' OG1' ' O ' ' A' ' 178' ' ' ALA . 25.7 m -50.39 -51.46 46.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.546 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -47.27 -45.77 24.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.581 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 184' ' ' SER . . . . . . . . . . . . . 29.4 t -54.37 -37.94 65.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.556 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 66.1 mt -77.63 -21.73 51.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.564 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 21.9 m -73.28 -44.81 58.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.538 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 187' ' ' ILE . . . . . 0.636 HG23 ' N ' ' A' ' 188' ' ' TRP . 12.3 tt -73.63 -51.63 24.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.585 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 188' ' ' TRP . . . . . 0.636 ' N ' HG23 ' A' ' 187' ' ' ILE . 0.2 OUTLIER -30.77 -56.93 0.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.57 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 7.6 mmtt -175.71 128.28 0.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.572 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 190' ' ' LYS . . . . . . . . . . . . . 16.4 pttm -109.9 89.52 3.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.555 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 191' ' ' MET . . . . . . . . . . . . . 93.0 mtp -128.6 136.62 50.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.576 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.717 0 CA-C-O 118.023 -1.432 . . . . 0.0 110.866 -179.965 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.553 ' O ' HD12 ' A' ' 19' ' ' ILE . 2.6 p . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.823 0.344 . . . . 0.0 110.612 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.441 ' H ' ' HB2' ' A' ' 15' ' ' SER . 8.5 m -88.38 -9.48 52.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.56 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -79.94 -51.53 8.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.505 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.472 ' CD ' ' O ' ' A' ' 18' ' ' GLN . 22.2 tm0? -66.99 -24.26 66.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.494 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.553 HD12 ' O ' ' A' ' 15' ' ' SER . 93.9 mt -81.64 -55.45 7.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.535 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 53.0 ttp -53.06 -36.69 60.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.528 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.454 ' O ' HD13 ' A' ' 25' ' ' LEU . 34.4 mmtm -67.19 -46.21 74.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.516 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.434 HG22 ' O ' ' A' ' 22' ' ' THR . 32.0 m -72.31 -7.85 51.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.463 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -79.64 -53.97 4.13 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.676 ' O ' ' NE2' ' A' ' 28' ' ' GLN . . . -78.46 -9.07 59.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.762 0.315 . . . . 0.0 110.48 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.547 ' O ' ' C ' ' A' ' 26' ' ' LEU . 2.1 mp -86.86 -80.62 0.24 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.544 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.547 ' C ' ' O ' ' A' ' 25' ' ' LEU . 55.9 tp -26.97 -65.73 0.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.636 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.54 ' O ' HG12 ' A' ' 31' ' ' ILE . 6.3 tt -51.21 -57.93 7.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.541 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.676 ' NE2' ' O ' ' A' ' 24' ' ' ALA . 2.6 mp0 -47.42 -18.17 0.11 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.58 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.537 ' O ' ' N ' ' A' ' 31' ' ' ILE . . . -88.44 -72.67 1.28 Allowed Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 41.9 t80 -42.21 -18.93 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.828 0.347 . . . . 0.0 110.607 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.54 HG12 ' O ' ' A' ' 27' ' ' LEU . 31.0 mm -76.95 -69.08 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.595 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.599 ' HG2' ' O ' ' A' ' 32' ' ' GLN . 49.7 tt0 -79.03 30.14 0.21 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.548 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.412 ' H ' ' C ' ' A' ' 31' ' ' ILE . 67.4 t0 -113.08 -50.88 2.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.586 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.47 ' NH2' ' OD2' ' A' ' 71' ' ' ASP . 14.6 ptm180 -91.5 -26.49 18.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.588 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.456 ' CB ' HD22 ' A' ' 122' ' ' LEU . . . -99.76 -12.3 20.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.525 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.687 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 -179.946 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo . . . . . 0 N--CA 1.491 1.373 0 CA-C-O 120.833 0.264 . . . . 0.0 112.131 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.416 ' HG3' HD11 ' A' ' 125' ' ' LEU . 71.4 mm-40 -77.3 -16.08 59.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.606 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.568 HD21 ' O ' ' A' ' 28' ' ' GLN . 18.5 tp -93.16 67.82 4.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.519 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.566 ' O ' ' HB2' ' A' ' 47' ' ' LEU . . . -87.92 127.53 35.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.535 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.566 ' HB2' ' O ' ' A' ' 46' ' ' ALA . 22.5 tp . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.569 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 48.3 p-10 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.751 0.31 . . . . 0.0 110.533 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -78.46 -0.78 30.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.573 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 23.0 m -65.61 -39.52 91.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.564 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 12.5 t -83.74 -34.01 24.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.525 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -49.06 -55.11 13.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.552 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 30.0 ttpt -59.42 -48.51 81.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.587 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.639 ' O ' HD23 ' A' ' 59' ' ' LEU . 0.8 OUTLIER -61.2 -26.12 67.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.625 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.6 t -71.52 -35.31 70.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.527 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.09 -31.59 72.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.593 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 94.0 m -64.39 -37.75 88.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.532 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.471 ' N ' HD12 ' A' ' 63' ' ' LEU . 9.0 mp -75.41 -24.57 57.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.588 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 65.3 tttp -84.2 -36.81 22.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.595 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.425 ' O ' ' OE2' ' A' ' 69' ' ' GLU . 79.5 ttt180 -68.26 -44.88 74.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.591 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 18.8 tt -76.06 -35.2 28.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.586 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.424 ' O ' ' CB ' ' A' ' 71' ' ' ASP . . . -60.79 -45.5 96.34 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.418 ' OD1' ' O ' ' A' ' 68' ' ' ASP . 68.5 t0 -62.79 -34.39 77.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.804 0.335 . . . . 0.0 110.54 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.549 ' OE1' ' N ' ' A' ' 69' ' ' GLU . 0.3 OUTLIER -79.51 -58.69 3.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.527 -179.952 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 2.1 mt -55.01 -43.05 73.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.593 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.47 ' OD2' ' NH2' ' A' ' 34' ' ' ARG . 55.8 t0 -65.07 -8.72 17.66 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.581 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.5 t -96.39 7.06 47.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.6 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -93.0 111.36 22.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.576 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 98.1 mmm -68.23 -11.21 58.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.58 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -80.41 -67.23 0.79 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.571 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 54.9 tp -59.81 -40.27 87.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.585 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 7.2 tm0? -61.87 -37.86 86.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.579 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 76.1 ttt180 -68.6 -44.83 73.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.578 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.486 ' SD ' HG23 ' A' ' 182' ' ' THR . 74.0 mtp -54.55 -43.96 72.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.536 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.642 ' O ' HG12 ' A' ' 83' ' ' VAL . 84.0 mt -62.31 -23.7 32.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.519 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -86.09 -18.67 31.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.541 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -86.4 -15.48 40.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.585 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.874 ' O ' HG13 ' A' ' 83' ' ' VAL . 8.2 p -89.35 82.81 2.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.522 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.423 ' O ' ' O ' ' A' ' 83' ' ' VAL . 53.0 p-10 -40.62 162.43 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.552 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 72.8 p -119.63 119.99 35.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.585 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -148.9 -0.2 0.52 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.445 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.705 ' O ' HG12 ' A' ' 91' ' ' VAL . 45.8 t -175.83 88.6 0.29 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.493 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.495 ' O ' ' CB ' ' A' ' 92' ' ' PHE . 37.5 Cg_endo -69.27 -15.17 38.72 Favored 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.787 2.325 . . . . 0.0 112.116 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 16.8 ptt-85 -86.51 -33.95 20.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.573 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -79.55 -57.26 3.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.58 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.705 HG12 ' O ' ' A' ' 87' ' ' SER . 9.0 p -57.7 -51.1 74.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.501 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.651 ' N ' HG13 ' A' ' 91' ' ' VAL . 85.7 t80 -46.3 -52.06 13.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.471 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -67.97 -30.38 69.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.529 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 16.0 tpp180 -71.58 -57.95 3.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.503 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.623 HG23 ' N ' ' A' ' 96' ' ' ALA . 27.2 m -59.33 -48.04 88.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.567 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.623 ' N ' HG23 ' A' ' 95' ' ' VAL . . . -55.2 -27.61 47.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.581 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -81.93 -38.89 24.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.518 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 99' ' ' MET . 99.1 m-20 -63.1 -38.73 92.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.581 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' MET . . . . . 0.53 ' HB2' HH21 ' A' ' 109' ' ' ARG . 64.7 mtt -38.36 -68.81 0.14 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.594 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.6 ' CD2' ' O ' ' A' ' 100' ' ' PHE . 16.3 p90 -111.29 57.48 0.63 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.568 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.2 t -74.72 -26.76 60.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.552 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' ASP . . . . . 0.532 ' O ' ' C ' ' A' ' 103' ' ' GLY . 54.6 p-10 -155.64 -18.35 0.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.52 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.532 ' C ' ' O ' ' A' ' 102' ' ' ASP . . . -26.25 -80.71 0.01 OUTLIER Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' ASN . . . . . 0.606 ' O ' ' CG ' ' A' ' 105' ' ' PHE . 10.1 m-20 174.49 34.36 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.795 0.331 . . . . 0.0 110.597 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.606 ' CG ' ' O ' ' A' ' 104' ' ' ASN . 27.8 p90 42.67 29.0 0.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.616 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.52 ' O ' ' HB2' ' A' ' 107' ' ' TRP . 28.2 p30 -52.07 -110.46 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.559 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' TRP . . . . . 0.549 ' HE1' HD12 ' A' ' 148' ' ' LEU . 6.5 t90 174.67 -26.28 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.542 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' GLY . . . . . 0.592 ' O ' HG12 ' A' ' 111' ' ' VAL . . . -50.14 -42.06 39.65 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' ARG . . . . . 0.53 HH21 ' HB2' ' A' ' 99' ' ' MET . 0.0 OUTLIER -48.1 -26.2 1.76 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.847 0.356 . . . . 0.0 110.506 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.538 HG21 ' NE1' ' A' ' 107' ' ' TRP . 36.5 t -52.49 -57.93 3.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.553 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.592 HG12 ' O ' ' A' ' 108' ' ' GLY . 4.7 p -45.24 -46.79 3.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.578 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.58 ' N ' HG13 ' A' ' 111' ' ' VAL . . . -58.09 -34.98 70.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.525 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.664 ' O ' HD23 ' A' ' 113' ' ' LEU . 1.9 tt -57.0 -46.87 81.96 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.557 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -57.16 -44.05 83.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.495 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 93.1 t80 -68.01 -43.63 78.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.508 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.462 ' CE2' HG21 ' A' ' 95' ' ' VAL . 93.2 t80 -59.0 -41.79 88.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.58 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.499 ' O ' HG23 ' A' ' 121' ' ' VAL . . . -71.03 -32.53 69.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.56 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 5.3 t -48.6 -44.43 37.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.581 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.818 ' O ' ' CB ' ' A' ' 123' ' ' LYS . 57.8 mmtt -59.63 -43.71 93.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.497 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 52.6 mt -68.02 -31.57 71.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.544 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.726 HG13 HG23 ' A' ' 133' ' ' ILE . 55.8 t -76.84 -53.5 14.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.602 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.456 HD22 ' CB ' ' A' ' 35' ' ' ALA . 70.7 mt -72.89 -41.0 65.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.493 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.818 ' CB ' ' O ' ' A' ' 119' ' ' LYS . 65.4 tttm -58.01 -41.25 82.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.571 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.531 ' O ' ' OG1' ' A' ' 127' ' ' THR . . . -75.44 -22.23 57.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.504 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.42 HD12 ' HA ' ' A' ' 125' ' ' LEU . 37.5 tp -62.9 -32.4 73.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.548 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 1.6 t -82.9 -36.02 25.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.55 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.751 ' O ' ' HB2' ' A' ' 128' ' ' LYS . 33.2 p -53.21 -19.15 2.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.59 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 128' ' ' LYS . . . . . 0.751 ' HB2' ' O ' ' A' ' 127' ' ' THR . 66.3 mttm 87.62 44.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.584 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 129' ' ' VAL . . . . . 0.482 ' CG2' ' OG1' ' A' ' 127' ' ' THR . 0.5 OUTLIER -147.74 89.53 5.34 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.601 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 130' ' ' PRO . . . . . 0.403 ' HA ' HG12 ' A' ' 133' ' ' ILE . 43.4 Cg_endo -71.6 -13.73 30.09 Favored 'Trans proline' 0 C--N 1.304 -1.774 0 C-N-CA 122.713 2.275 . . . . 0.0 112.006 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -65.06 -40.68 95.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.555 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 8.6 mp -61.57 -34.08 74.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.472 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.726 HG23 HG13 ' A' ' 121' ' ' VAL . 21.2 mm -56.81 -50.16 76.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.489 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 78.9 mtp85 -69.09 -34.81 75.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.543 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 7.2 m -67.2 -31.89 72.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.514 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 136' ' ' ILE . . . . . 0.437 HG21 ' CG2' ' A' ' 121' ' ' VAL . 39.2 mt -69.9 -58.78 4.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.512 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 12.2 mtp -46.45 -25.53 0.68 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.52 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -68.69 -40.45 85.55 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 139' ' ' TRP . . . . . 0.518 ' CD1' ' N ' ' A' ' 139' ' ' TRP . 11.9 m0 -66.36 -24.42 66.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.756 0.313 . . . . 0.0 110.508 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 140' ' ' THR . . . . . 0.468 ' OG1' ' N ' ' A' ' 141' ' ' LEU . 23.4 p -75.51 -65.93 0.84 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.526 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 141' ' ' LEU . . . . . 0.468 ' N ' ' OG1' ' A' ' 140' ' ' THR . 53.4 mt -51.71 -33.71 35.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.48 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -65.65 -51.12 61.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.577 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 143' ' ' PHE . . . . . 0.523 ' O ' ' HB2' ' A' ' 147' ' ' ARG . 39.1 t80 -66.86 -38.81 87.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.568 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.546 HD12 ' HB2' ' A' ' 148' ' ' LEU . 1.4 tp -71.12 -35.45 71.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.535 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 59.1 ttp180 -83.06 -10.66 58.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.549 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -111.98 -4.66 14.46 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.569 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 147' ' ' ARG . . . . . 1.151 ' O ' ' N ' ' A' ' 149' ' ' LEU . 0.7 OUTLIER -142.18 -110.89 0.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.572 -179.902 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 148' ' ' LEU . . . . . 0.818 ' H ' HD22 ' A' ' 148' ' ' LEU . 1.0 OUTLIER -15.4 -27.83 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.561 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 149' ' ' LEU . . . . . 1.151 ' N ' ' O ' ' A' ' 147' ' ' ARG . 42.2 tp -49.02 -56.37 9.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.567 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -63.8 -50.67 59.64 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 151' ' ' TRP . . . . . . . . . . . . . 95.5 m95 -66.29 -55.82 14.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.784 0.326 . . . . 0.0 110.559 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 152' ' ' ILE . . . . . 0.697 ' N ' ' O ' ' A' ' 148' ' ' LEU . 9.5 tt -51.37 -34.21 14.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.581 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 55.8 tt0 -67.48 -31.2 71.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.594 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -89.21 -4.54 58.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.574 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -97.4 0.63 48.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.548 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 83.81 24.71 48.49 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 89.71 -160.36 28.82 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . 65.0 m95 -73.85 -5.61 42.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.76 0.315 . . . . 0.0 110.615 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -60.98 -42.36 98.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.569 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -54.4 -32.19 51.89 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 161' ' ' LEU . . . . . 0.558 ' O ' HD23 ' A' ' 161' ' ' LEU . 2.0 tt -62.95 -53.99 45.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.818 0.342 . . . . 0.0 110.58 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 56.3 tp -67.06 -31.05 71.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.606 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 5.3 t -66.79 -26.47 66.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.475 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 94.3 t80 -76.39 -42.78 43.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.553 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -71.64 47.82 0.14 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.518 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -130.58 38.6 1.92 Allowed Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 167' ' ' THR . . . . . 1.069 ' OG1' ' HD2' ' A' ' 168' ' ' PRO . 0.6 OUTLIER -108.04 -179.33 0.68 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 120.915 0.388 . . . . 0.0 110.611 179.953 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 168' ' ' PRO . . . . . 1.069 ' HD2' ' OG1' ' A' ' 167' ' ' THR . 56.1 Cg_endo -74.41 -146.71 0.03 OUTLIER 'Trans proline' 0 C--N 1.304 -1.768 0 C-N-CA 122.891 2.394 . . . . 0.0 112.073 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 169' ' ' THR . . . . . 0.6 ' C ' ' O ' ' A' ' 168' ' ' PRO . 32.9 p -21.65 100.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.492 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 170' ' ' TRP . . . . . 0.684 ' O ' HG22 ' A' ' 173' ' ' VAL . 29.5 p90 -64.49 -18.46 64.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.613 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 171' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.31 -14.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.524 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 172' ' ' THR . . . . . 0.518 ' O ' HG22 ' A' ' 175' ' ' ILE . 99.4 m -87.13 -29.46 21.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.504 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 173' ' ' VAL . . . . . 0.684 HG22 ' O ' ' A' ' 170' ' ' TRP . 2.0 m -72.18 -45.61 61.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.529 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 174' ' ' THR . . . . . 0.566 ' N ' ' CG2' ' A' ' 173' ' ' VAL . 25.1 m -64.59 -24.87 67.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.541 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 175' ' ' ILE . . . . . 0.518 HG22 ' O ' ' A' ' 172' ' ' THR . 1.8 tt -85.79 -7.61 10.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.544 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 176' ' ' PHE . . . . . 0.483 ' O ' HG12 ' A' ' 180' ' ' VAL . 62.7 t80 -94.52 -60.14 1.78 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.603 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 3.2 m -62.07 -16.75 16.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.516 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 178' ' ' ALA . . . . . 0.623 ' O ' ' OG1' ' A' ' 182' ' ' THR . . . -95.58 -45.86 6.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.567 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -62.36 -26.16 67.64 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 180' ' ' VAL . . . . . 0.699 HG13 ' N ' ' A' ' 181' ' ' LEU . 13.7 p -86.25 -51.65 12.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.783 0.325 . . . . 0.0 110.601 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 181' ' ' LEU . . . . . 0.699 ' N ' HG13 ' A' ' 180' ' ' VAL . 40.6 tp -69.33 -47.93 62.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.573 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 182' ' ' THR . . . . . 0.623 ' OG1' ' O ' ' A' ' 178' ' ' ALA . 25.8 m -50.54 -51.32 48.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.551 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -47.45 -45.68 26.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.561 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 184' ' ' SER . . . . . . . . . . . . . 27.5 t -54.47 -37.9 65.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.559 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 61.2 mt -77.55 -21.83 51.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.556 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 21.8 m -73.2 -44.87 59.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.539 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 187' ' ' ILE . . . . . 0.638 HG23 ' N ' ' A' ' 188' ' ' TRP . 12.5 tt -73.76 -51.46 24.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.634 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 188' ' ' TRP . . . . . 0.638 ' N ' HG23 ' A' ' 187' ' ' ILE . 0.1 OUTLIER -30.81 -56.94 0.22 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.523 179.94 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 8.0 mmtt -175.71 128.24 0.24 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.538 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 190' ' ' LYS . . . . . . . . . . . . . 14.8 ptmt -109.81 89.56 3.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.679 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 191' ' ' MET . . . . . . . . . . . . . 83.8 mtp -128.64 136.55 50.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.539 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.804 0 CA-C-O 117.996 -1.447 . . . . 0.0 110.941 179.977 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.84 ' O ' HD12 ' A' ' 19' ' ' ILE . 10.2 p . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.845 0.355 . . . . 0.0 110.598 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 58.2 m -98.74 -14.58 19.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.569 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -93.03 -50.55 5.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.572 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -55.82 -32.84 63.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.647 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.84 HD12 ' O ' ' A' ' 15' ' ' SER . 88.1 mt -75.06 -51.13 22.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.645 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 54.8 ttp -57.39 -36.22 71.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.709 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.441 ' O ' HD12 ' A' ' 25' ' ' LEU . 25.0 mtpp -68.11 -43.78 77.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.708 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 46.8 m -72.78 -13.64 61.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.635 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -74.85 -54.14 6.0 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.05 -10.89 59.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.797 0.332 . . . . 0.0 110.644 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.532 ' O ' ' C ' ' A' ' 26' ' ' LEU . 36.9 mt -86.31 -78.7 0.27 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.598 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.532 ' C ' ' O ' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -28.69 -64.69 0.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.663 179.933 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.405 ' C ' ' N ' ' A' ' 29' ' ' GLY . 6.0 tp -52.34 -56.72 12.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.641 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.48 ' HG2' HD21 ' A' ' 45' ' ' LEU . 0.9 OUTLIER -48.49 -18.1 0.21 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.579 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.531 ' O ' ' N ' ' A' ' 31' ' ' ILE . . . -88.63 -72.29 1.27 Allowed Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 41.9 t80 -42.51 -18.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.789 0.328 . . . . 0.0 110.532 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.531 ' N ' ' O ' ' A' ' 29' ' ' GLY . 87.1 mt -76.94 -68.95 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.613 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.555 ' O ' ' HG3' ' A' ' 32' ' ' GLN . 55.4 tp60 -79.06 29.8 0.21 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.533 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.412 ' H ' ' C ' ' A' ' 31' ' ' ILE . 59.3 t0 -112.76 -51.17 2.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.529 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 -91.21 -27.02 18.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.536 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.468 ' CB ' HD22 ' A' ' 122' ' ' LEU . . . -98.89 -13.05 20.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.576 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.705 0 N-CA-C 110.845 -0.902 . . . . 0.0 110.845 179.973 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo . . . . . 0 N--CA 1.49 1.301 0 CA-C-O 120.834 0.264 . . . . 0.0 112.074 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 51.3 mp0 -91.83 -13.01 32.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.615 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.48 HD21 ' HG2' ' A' ' 28' ' ' GLN . 43.3 tp -97.5 61.23 1.64 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.596 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.527 ' O ' ' HB2' ' A' ' 47' ' ' LEU . . . -66.83 143.89 56.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.535 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.527 ' HB2' ' O ' ' A' ' 46' ' ' ALA . 3.3 tp . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.51 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 68.2 t0 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.73 0.3 . . . . 0.0 110.579 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -79.66 1.77 25.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.603 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 44.0 m -62.31 -38.92 91.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.544 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 76.9 p -83.98 -34.17 24.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.596 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -49.19 -55.26 13.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.595 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -59.31 -48.51 81.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.61 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.619 ' O ' HD23 ' A' ' 59' ' ' LEU . 0.8 OUTLIER -61.26 -26.07 67.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.605 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.5 t -71.57 -35.27 70.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.508 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 76.1 mt-10 -64.09 -31.58 72.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.539 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.43 ' O ' HG22 ' A' ' 66' ' ' ILE . 90.8 m -64.47 -37.67 88.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.498 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.45 ' N ' HD12 ' A' ' 63' ' ' LEU . 10.1 mp -75.41 -24.61 57.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.577 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -84.32 -36.6 22.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.626 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.428 ' O ' ' OE2' ' A' ' 69' ' ' GLU . 99.7 mtt180 -68.52 -44.5 74.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.556 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.43 HG22 ' O ' ' A' ' 62' ' ' CYS . 20.6 tt -76.42 -35.07 26.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.638 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.425 ' O ' ' CB ' ' A' ' 71' ' ' ASP . . . -61.02 -45.41 96.65 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -62.68 -34.37 76.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.782 0.325 . . . . 0.0 110.59 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.549 ' OE1' ' N ' ' A' ' 69' ' ' GLU . 0.3 OUTLIER -79.63 -58.45 3.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.596 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.16 -43.11 73.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.514 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.425 ' CB ' ' O ' ' A' ' 67' ' ' GLY . 38.7 t70 -64.97 -8.83 17.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.561 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.9 t -96.38 7.05 47.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.525 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -92.93 111.44 23.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.578 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 41.8 ttp -68.33 -11.12 59.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.513 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -80.44 -67.21 0.79 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.549 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 7.2 tp -59.82 -40.28 87.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.598 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 8.3 tm0? -61.85 -37.9 86.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.552 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 74.2 ttt180 -68.49 -44.9 73.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.587 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.486 ' SD ' HG23 ' A' ' 182' ' ' THR . 74.1 mtp -54.56 -43.8 72.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.588 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.641 ' O ' HG12 ' A' ' 83' ' ' VAL . 84.4 mt -62.4 -23.73 33.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.531 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -86.06 -18.64 31.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.619 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -86.6 -15.15 40.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.569 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.885 ' O ' HG13 ' A' ' 83' ' ' VAL . 7.3 p -89.66 82.68 2.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.608 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.411 ' O ' ' O ' ' A' ' 83' ' ' VAL . 55.4 p-10 -40.73 161.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.524 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 67.3 p -119.23 119.65 34.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.549 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -148.4 -0.15 0.57 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.472 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.676 ' O ' HG12 ' A' ' 91' ' ' VAL . 37.1 t -175.84 87.69 0.29 Allowed Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.545 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.497 ' O ' ' CB ' ' A' ' 92' ' ' PHE . 36.3 Cg_endo -68.28 -15.4 42.39 Favored 'Trans proline' 0 C--N 1.305 -1.76 0 C-N-CA 122.829 2.353 . . . . 0.0 112.065 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 33.6 ptt-85 -85.66 -35.6 20.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.532 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -78.13 -58.38 3.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.567 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.676 HG12 ' O ' ' A' ' 87' ' ' SER . 10.2 p -56.28 -51.71 60.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.538 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.667 ' N ' HG13 ' A' ' 91' ' ' VAL . 85.9 t80 -45.84 -52.43 11.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.503 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -67.74 -30.61 70.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.474 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 15.9 tpp180 -71.33 -58.0 3.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.582 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.62 HG23 ' N ' ' A' ' 96' ' ' ALA . 28.4 m -59.36 -48.05 88.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.538 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.62 ' N ' HG23 ' A' ' 95' ' ' VAL . . . -55.13 -27.72 47.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.529 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -81.76 -38.89 24.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.571 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.41 ' O ' ' C ' ' A' ' 99' ' ' MET . 99.7 m-20 -63.22 -38.64 91.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.537 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' MET . . . . . 0.533 ' HB2' HH21 ' A' ' 109' ' ' ARG . 63.9 mtt -38.29 -68.92 0.14 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.554 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.601 ' CD2' ' O ' ' A' ' 100' ' ' PHE . 16.5 p90 -111.3 57.51 0.63 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.531 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.4 t -74.64 -26.83 60.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.533 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' ASP . . . . . 0.552 ' O ' ' C ' ' A' ' 103' ' ' GLY . 55.7 p-10 -155.59 -18.4 0.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.59 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.552 ' C ' ' O ' ' A' ' 102' ' ' ASP . . . -26.3 -80.72 0.01 OUTLIER Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' ASN . . . . . 0.608 ' O ' ' CG ' ' A' ' 105' ' ' PHE . 10.6 m-20 174.5 34.44 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.841 0.353 . . . . 0.0 110.522 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.608 ' CG ' ' O ' ' A' ' 104' ' ' ASN . 30.7 p90 42.61 29.19 0.15 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.541 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.519 ' CG ' ' H ' ' A' ' 107' ' ' TRP . 28.5 p30 -52.16 -110.43 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.541 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' TRP . . . . . 0.546 ' NE1' HG21 ' A' ' 110' ' ' VAL . 6.4 t90 174.53 -26.22 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.522 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' GLY . . . . . 0.596 ' O ' HG12 ' A' ' 111' ' ' VAL . . . -50.06 -42.16 39.13 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' ARG . . . . . 0.533 HH21 ' HB2' ' A' ' 99' ' ' MET . 0.0 OUTLIER -48.14 -26.1 1.74 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.764 0.316 . . . . 0.0 110.494 -179.921 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.546 HG21 ' NE1' ' A' ' 107' ' ' TRP . 37.4 t -52.63 -57.84 3.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.569 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.596 HG12 ' O ' ' A' ' 108' ' ' GLY . 4.8 p -45.3 -46.78 3.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.589 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.584 ' N ' HG13 ' A' ' 111' ' ' VAL . . . -58.13 -34.87 70.71 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.513 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.659 ' O ' HD23 ' A' ' 113' ' ' LEU . 1.8 tt -56.95 -46.88 81.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.523 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -57.25 -43.99 83.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.554 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 91.9 t80 -68.0 -43.62 78.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.446 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.451 ' CE2' HG21 ' A' ' 95' ' ' VAL . 92.9 t80 -59.04 -41.86 88.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.527 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.489 ' O ' HG23 ' A' ' 121' ' ' VAL . . . -70.98 -32.56 69.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.558 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 4.4 t -48.61 -44.34 36.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.554 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.821 ' O ' ' CB ' ' A' ' 123' ' ' LYS . 57.8 mmtt -59.71 -43.67 94.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.538 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 56.4 mt -68.18 -31.28 70.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.535 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.724 HG13 HG23 ' A' ' 133' ' ' ILE . 61.2 t -77.02 -53.56 14.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.572 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.468 HD22 ' CB ' ' A' ' 35' ' ' ALA . 69.4 mt -72.83 -40.98 65.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.596 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.821 ' CB ' ' O ' ' A' ' 119' ' ' LYS . 65.5 tttm -58.16 -41.04 82.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.535 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.52 ' O ' ' OG1' ' A' ' 127' ' ' THR . . . -75.68 -21.89 57.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.534 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 40.3 tp -63.0 -32.29 73.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.598 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 126' ' ' CYS . . . . . 0.435 ' SG ' ' N ' ' A' ' 127' ' ' THR . 17.6 p -83.21 -35.72 25.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.587 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.758 ' O ' ' HB2' ' A' ' 128' ' ' LYS . 35.2 p -53.63 -19.11 3.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.559 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 128' ' ' LYS . . . . . 0.758 ' HB2' ' O ' ' A' ' 127' ' ' THR . 60.7 mttp 87.61 44.92 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.62 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 129' ' ' VAL . . . . . 0.498 ' CG2' ' OG1' ' A' ' 127' ' ' THR . 0.2 OUTLIER -147.92 88.79 5.45 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.614 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -70.68 -14.22 33.01 Favored 'Trans proline' 0 C--N 1.305 -1.747 0 C-N-CA 122.737 2.291 . . . . 0.0 112.07 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -64.63 -41.16 96.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.517 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 8.5 mp -60.99 -34.24 74.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.517 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.724 HG23 HG13 ' A' ' 121' ' ' VAL . 21.0 mm -56.74 -50.08 75.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.471 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 17.4 mmm180 -69.22 -34.85 75.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.423 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 7.4 m -67.07 -31.92 72.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.497 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 136' ' ' ILE . . . . . 0.425 HG21 ' CG2' ' A' ' 121' ' ' VAL . 44.8 mt -69.81 -58.89 4.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.492 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 86.3 mtp -46.46 -25.49 0.68 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.539 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -68.57 -40.56 86.02 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 139' ' ' TRP . . . . . 0.517 ' CD1' ' N ' ' A' ' 139' ' ' TRP . 12.2 m0 -66.34 -24.43 66.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.841 0.353 . . . . 0.0 110.501 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 140' ' ' THR . . . . . 0.504 ' OG1' ' N ' ' A' ' 141' ' ' LEU . 15.4 p -75.49 -65.86 0.84 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.521 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 141' ' ' LEU . . . . . 0.504 ' N ' ' OG1' ' A' ' 140' ' ' THR . 54.2 mt -51.72 -33.65 35.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.514 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -65.75 -51.01 62.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.613 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 143' ' ' PHE . . . . . 0.527 ' O ' ' HB2' ' A' ' 147' ' ' ARG . 39.8 t80 -66.85 -38.88 87.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.552 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.602 HD12 ' HB2' ' A' ' 148' ' ' LEU . 2.4 tp -71.1 -35.44 71.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.523 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 58.9 ttp180 -83.08 -10.63 58.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.563 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -112.05 -4.57 14.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.604 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 147' ' ' ARG . . . . . 1.152 ' O ' ' N ' ' A' ' 149' ' ' LEU . 0.6 OUTLIER -142.28 -110.91 0.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.527 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 148' ' ' LEU . . . . . 0.819 ' H ' HD22 ' A' ' 148' ' ' LEU . 1.0 OUTLIER -15.31 -27.8 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.575 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 149' ' ' LEU . . . . . 1.152 ' N ' ' O ' ' A' ' 147' ' ' ARG . 59.2 tp -49.15 -56.2 9.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.638 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -63.97 -50.62 59.56 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 151' ' ' TRP . . . . . . . . . . . . . 99.6 m95 -66.25 -55.78 14.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.786 0.327 . . . . 0.0 110.613 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 152' ' ' ILE . . . . . 0.697 ' N ' ' O ' ' A' ' 148' ' ' LEU . 10.5 tt -51.35 -34.39 15.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.532 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 153' ' ' GLN . . . . . 0.533 ' OE1' HD11 ' A' ' 149' ' ' LEU . 10.9 mt-30 -67.39 -31.27 71.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.596 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -89.08 -4.47 58.33 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.592 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -97.55 0.82 48.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.609 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 83.73 24.63 49.07 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 89.85 -160.32 28.61 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.949 -0.861 . . . . 0.0 110.949 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 158' ' ' TRP . . . . . 0.414 ' CD1' HD11 ' A' ' 152' ' ' ILE . 53.6 m95 -73.94 -5.71 42.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.781 0.324 . . . . 0.0 110.556 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 67.5 t0 -60.88 -42.37 97.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.615 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -54.5 -32.15 52.58 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 161' ' ' LEU . . . . . 0.581 ' O ' HD23 ' A' ' 161' ' ' LEU . 2.0 tt -62.89 -54.14 43.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.818 0.342 . . . . 0.0 110.538 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 53.0 tp -67.0 -31.02 71.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.607 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 5.3 t -66.83 -26.28 66.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.483 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 93.6 t80 -76.66 -42.56 41.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.567 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -71.67 47.87 0.14 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.611 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -130.88 39.08 1.84 Allowed Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 167' ' ' THR . . . . . 1.041 ' OG1' ' HD2' ' A' ' 168' ' ' PRO . 0.6 OUTLIER -108.48 -179.81 0.74 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 120.909 0.385 . . . . 0.0 110.558 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 168' ' ' PRO . . . . . 1.041 ' HD2' ' OG1' ' A' ' 167' ' ' THR . 52.8 Cg_endo -73.48 -145.83 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.739 0 C-N-CA 122.837 2.358 . . . . 0.0 112.133 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 169' ' ' THR . . . . . 0.59 ' C ' ' O ' ' A' ' 168' ' ' PRO . 7.3 p -22.88 101.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.61 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 170' ' ' TRP . . . . . 0.691 ' O ' HG22 ' A' ' 173' ' ' VAL . 36.2 p90 -64.65 -18.54 65.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.557 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 171' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.16 -14.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.604 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 172' ' ' THR . . . . . 0.526 ' O ' HG22 ' A' ' 175' ' ' ILE . 5.2 m -86.78 -29.67 22.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.611 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 173' ' ' VAL . . . . . 0.691 HG22 ' O ' ' A' ' 170' ' ' TRP . 2.0 m -72.02 -45.6 62.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.577 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 174' ' ' THR . . . . . 0.562 ' N ' ' CG2' ' A' ' 173' ' ' VAL . 25.5 m -64.67 -24.86 67.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.544 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 175' ' ' ILE . . . . . 0.526 HG22 ' O ' ' A' ' 172' ' ' THR . 1.7 tt -85.79 -7.47 10.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.552 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 176' ' ' PHE . . . . . 0.486 ' O ' HG12 ' A' ' 180' ' ' VAL . 64.0 t80 -94.63 -59.99 1.81 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.624 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 3.2 m -62.21 -16.61 16.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.612 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 178' ' ' ALA . . . . . 0.628 ' O ' ' OG1' ' A' ' 182' ' ' THR . . . -95.54 -45.96 6.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.583 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -62.33 -26.11 67.53 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 180' ' ' VAL . . . . . 0.696 HG13 ' N ' ' A' ' 181' ' ' LEU . 13.8 p -86.3 -51.7 12.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.764 0.316 . . . . 0.0 110.515 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 181' ' ' LEU . . . . . 0.696 ' N ' HG13 ' A' ' 180' ' ' VAL . 43.9 tp -69.4 -47.88 62.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.592 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 182' ' ' THR . . . . . 0.628 ' OG1' ' O ' ' A' ' 178' ' ' ALA . 25.2 m -50.54 -51.38 48.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.581 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -47.35 -45.7 25.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.574 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 184' ' ' SER . . . . . . . . . . . . . 27.2 t -54.44 -37.89 65.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.587 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 61.1 mt -77.52 -21.81 52.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.609 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 20.8 m -73.24 -44.81 58.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.612 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 187' ' ' ILE . . . . . 0.637 HG23 ' N ' ' A' ' 188' ' ' TRP . 12.2 tt -73.7 -51.54 24.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.604 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 188' ' ' TRP . . . . . 0.637 ' N ' HG23 ' A' ' 187' ' ' ILE . 0.2 OUTLIER -30.87 -56.91 0.22 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.54 -179.952 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 7.9 mmtt -175.7 128.27 0.25 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.567 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 190' ' ' LYS . . . . . . . . . . . . . 34.9 pttt -109.81 89.47 3.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.625 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 191' ' ' MET . . . . . . . . . . . . . 83.5 mtp -128.54 136.59 50.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.578 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.726 0 CA-C-O 117.988 -1.451 . . . . 0.0 110.922 -179.985 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.795 ' O ' ' CD1' ' A' ' 19' ' ' ILE . 11.2 p . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.757 0.313 . . . . 0.0 110.601 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.418 ' H ' ' HB2' ' A' ' 15' ' ' SER . 20.6 m -95.87 -9.03 32.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.629 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -86.39 -49.78 7.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.642 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 98.3 mm-40 -66.16 -23.62 66.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.569 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.795 ' CD1' ' O ' ' A' ' 15' ' ' SER . 70.4 mt -81.76 -55.02 8.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.521 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 52.4 ttp -53.67 -36.33 62.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.46 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.405 ' O ' HD23 ' A' ' 25' ' ' LEU . 94.5 mttt -67.54 -45.92 74.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.481 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 40.3 p -72.49 -7.77 51.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.591 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -79.9 -53.98 4.05 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.21 -9.33 59.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.837 0.351 . . . . 0.0 110.512 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.547 ' O ' ' C ' ' A' ' 26' ' ' LEU . 2.1 mm? -86.72 -80.68 0.24 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.529 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.547 ' C ' ' O ' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -26.99 -65.53 0.07 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.624 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.49 ' N ' HD12 ' A' ' 27' ' ' LEU . 10.8 mp -51.39 -57.75 8.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.558 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -47.58 -18.04 0.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.582 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.539 ' O ' ' N ' ' A' ' 31' ' ' ILE . . . -88.64 -72.67 1.28 Allowed Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 44.8 t80 -42.23 -18.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.804 0.335 . . . . 0.0 110.598 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.539 ' N ' ' O ' ' A' ' 29' ' ' GLY . 73.1 mt -77.02 -69.1 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.568 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.86 29.77 0.2 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.636 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.412 ' H ' ' C ' ' A' ' 31' ' ' ILE . 68.3 t0 -112.7 -51.32 2.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.52 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 -90.95 -27.29 18.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.524 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.469 ' CB ' HD22 ' A' ' 122' ' ' LEU . . . -98.81 -12.8 20.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.606 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.677 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 -179.985 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo . . . . . 0 N--CA 1.49 1.32 0 CA-C-O 120.806 0.252 . . . . 0.0 112.126 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 70.9 mt-10 -93.25 -9.81 37.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.564 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.422 HD22 ' HA ' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -103.53 66.1 0.86 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.53 -179.934 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -74.05 138.39 44.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.594 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.458 HD12 ' HA ' ' A' ' 47' ' ' LEU . 28.0 tp . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.536 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.782 0.325 . . . . 0.0 110.523 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -85.23 -3.14 58.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.567 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 72.6 p -56.65 -40.24 75.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.597 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 72.8 p -80.27 -33.75 37.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.578 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -51.06 -54.4 25.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.566 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 30.7 ttpt -60.42 -47.48 85.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.454 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.642 ' O ' HD23 ' A' ' 59' ' ' LEU . 0.9 OUTLIER -62.11 -26.44 68.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.568 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.6 t -71.38 -35.41 71.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.491 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -63.7 -31.83 73.12 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.589 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.444 ' O ' HG22 ' A' ' 66' ' ' ILE . 97.6 m -64.19 -37.88 89.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.547 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.464 ' N ' HD12 ' A' ' 63' ' ' LEU . 9.9 mp -75.29 -24.77 57.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.534 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -84.2 -36.69 22.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.595 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.436 ' O ' ' OE2' ' A' ' 69' ' ' GLU . 99.5 mtt180 -68.46 -44.51 74.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.571 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.444 HG22 ' O ' ' A' ' 62' ' ' CYS . 20.7 tt -76.47 -35.09 25.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.507 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.425 ' O ' ' CB ' ' A' ' 71' ' ' ASP . . . -60.97 -45.48 96.5 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 48.1 t0 -62.7 -34.28 76.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.793 0.33 . . . . 0.0 110.621 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.539 ' OE1' ' N ' ' A' ' 69' ' ' GLU . 0.3 OUTLIER -79.69 -58.41 3.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.598 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.19 -43.05 74.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.579 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.425 ' CB ' ' O ' ' A' ' 67' ' ' GLY . 38.5 t70 -65.05 -8.8 17.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.558 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.3 t -96.35 7.02 47.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.557 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -92.97 111.5 23.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.547 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 96.0 mmm -68.31 -11.12 58.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.59 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -80.52 -67.16 0.8 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.569 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 7.3 tp -59.9 -40.26 88.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.544 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.749 HE22 ' HZ2' ' A' ' 119' ' ' LYS . 68.0 tp60 -61.74 -37.97 86.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.55 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 -68.56 -44.94 73.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.552 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.485 ' SD ' HG23 ' A' ' 182' ' ' THR . 73.4 mtp -54.42 -43.99 72.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.545 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.641 ' O ' HG12 ' A' ' 83' ' ' VAL . 83.1 mt -62.33 -23.71 32.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.613 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -85.99 -18.77 31.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.562 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -86.49 -15.3 40.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.552 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.875 ' O ' HG13 ' A' ' 83' ' ' VAL . 8.0 p -89.57 82.64 2.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.586 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.426 ' O ' ' O ' ' A' ' 83' ' ' VAL . 56.1 p-10 -40.49 162.3 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.575 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 63.7 p -119.53 119.45 33.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.593 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -148.34 -0.17 0.58 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.467 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.695 ' O ' HG12 ' A' ' 91' ' ' VAL . 46.8 t -175.9 88.91 0.28 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.516 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.488 ' O ' ' CB ' ' A' ' 92' ' ' PHE . 37.9 Cg_endo -69.61 -14.93 37.3 Favored 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.791 2.327 . . . . 0.0 112.08 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 17.4 ptt-85 -86.81 -33.61 19.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.486 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -79.98 -57.22 3.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.495 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.695 HG12 ' O ' ' A' ' 87' ' ' SER . 9.6 p -57.94 -50.87 76.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.5 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.651 ' N ' HG13 ' A' ' 91' ' ' VAL . 85.5 t80 -46.34 -51.93 13.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.578 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -68.14 -30.35 69.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.515 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 15.9 tpp180 -71.62 -57.85 4.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.542 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.621 HG23 ' N ' ' A' ' 96' ' ' ALA . 27.8 m -59.48 -48.0 88.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.471 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.621 ' N ' HG23 ' A' ' 95' ' ' VAL . . . -55.22 -27.63 47.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.552 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -81.88 -38.9 24.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.494 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 99' ' ' MET . 92.5 m-20 -63.27 -38.56 91.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.514 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' MET . . . . . 0.542 ' HB2' HH21 ' A' ' 109' ' ' ARG . 64.0 mtt -38.45 -68.81 0.14 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.532 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.6 ' CD2' ' O ' ' A' ' 100' ' ' PHE . 17.2 p90 -111.31 57.44 0.63 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.544 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.2 t -74.62 -26.9 60.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.537 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' ASP . . . . . 0.533 ' O ' ' C ' ' A' ' 103' ' ' GLY . 55.9 p-10 -155.53 -18.36 0.11 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.504 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.533 ' C ' ' O ' ' A' ' 102' ' ' ASP . . . -26.38 -80.72 0.01 OUTLIER Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' ASN . . . . . 0.607 ' O ' ' CG ' ' A' ' 105' ' ' PHE . 10.3 m-20 174.57 34.33 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.766 0.317 . . . . 0.0 110.614 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.607 ' CG ' ' O ' ' A' ' 104' ' ' ASN . 30.6 p90 42.7 29.04 0.14 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.574 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.521 ' O ' ' HB2' ' A' ' 107' ' ' TRP . 27.9 p30 -52.13 -110.46 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.598 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' TRP . . . . . 0.543 ' NE1' HG21 ' A' ' 110' ' ' VAL . 6.6 t90 174.7 -26.21 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.599 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' GLY . . . . . 0.595 ' O ' HG12 ' A' ' 111' ' ' VAL . . . -50.07 -42.07 39.07 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' ARG . . . . . 0.542 HH21 ' HB2' ' A' ' 99' ' ' MET . 0.0 OUTLIER -48.14 -26.18 1.78 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.869 0.366 . . . . 0.0 110.584 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.543 HG21 ' NE1' ' A' ' 107' ' ' TRP . 33.8 t -52.5 -57.9 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.57 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.595 HG12 ' O ' ' A' ' 108' ' ' GLY . 4.8 p -45.22 -46.81 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.521 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.579 ' N ' HG13 ' A' ' 111' ' ' VAL . . . -57.94 -35.35 70.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.551 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.653 ' O ' HD23 ' A' ' 113' ' ' LEU . 1.8 tt -56.69 -46.89 80.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.525 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' PHE . . . . . 0.445 ' CZ ' ' CG1' ' A' ' 110' ' ' VAL . 9.9 m-85 -56.97 -44.19 82.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.559 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 93.4 t80 -68.04 -43.7 78.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.522 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.453 ' CE2' HG21 ' A' ' 95' ' ' VAL . 93.3 t80 -58.94 -41.9 88.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.538 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.491 ' O ' HG23 ' A' ' 121' ' ' VAL . . . -70.93 -32.51 69.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.575 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 5.1 t -48.67 -44.42 37.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.507 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.819 ' O ' ' CB ' ' A' ' 123' ' ' LYS . 58.0 mmtt -59.65 -43.63 93.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.558 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 53.3 mt -68.13 -31.31 70.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.551 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.735 HG13 HG23 ' A' ' 133' ' ' ILE . 59.3 t -77.09 -53.45 14.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.564 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.469 HD22 ' CB ' ' A' ' 35' ' ' ALA . 69.0 mt -73.08 -40.5 64.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.674 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.819 ' CB ' ' O ' ' A' ' 119' ' ' LYS . 88.7 tttt -58.35 -40.86 83.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.609 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.509 ' O ' ' OG1' ' A' ' 127' ' ' THR . . . -76.29 -20.98 56.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.561 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 5.0 tt -64.01 -31.0 72.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.598 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 1.7 t -85.01 -34.44 22.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.527 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.777 ' O ' ' HB2' ' A' ' 128' ' ' LYS . 32.9 p -54.25 -18.76 4.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.525 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 128' ' ' LYS . . . . . 0.777 ' HB2' ' O ' ' A' ' 127' ' ' THR . 27.5 mmtp 88.13 43.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.58 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 129' ' ' VAL . . . . . 0.49 ' CG2' ' OG1' ' A' ' 127' ' ' THR . 0.3 OUTLIER -147.48 90.7 5.18 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.578 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -72.79 -13.15 26.78 Favored 'Trans proline' 0 C--N 1.304 -1.767 0 C-N-CA 122.807 2.338 . . . . 0.0 112.009 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -65.69 -40.78 92.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.485 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 8.5 mp -61.12 -33.76 73.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.559 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.735 HG23 HG13 ' A' ' 121' ' ' VAL . 21.7 mm -57.07 -49.91 78.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.504 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 90.0 mtm180 -69.2 -34.72 75.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.529 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 7.3 m -67.51 -31.84 72.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.491 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 136' ' ' ILE . . . . . 0.417 HG21 ' CG2' ' A' ' 121' ' ' VAL . 45.4 mt -69.8 -58.71 4.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.576 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 85.8 mtp -46.51 -25.52 0.7 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.559 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -68.71 -40.45 85.48 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 139' ' ' TRP . . . . . 0.509 ' CD1' ' N ' ' A' ' 139' ' ' TRP . 12.6 m0 -66.33 -24.42 66.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.806 0.336 . . . . 0.0 110.531 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 140' ' ' THR . . . . . 0.469 ' OG1' ' N ' ' A' ' 141' ' ' LEU . 22.8 p -75.51 -65.94 0.83 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.524 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 141' ' ' LEU . . . . . 0.469 ' N ' ' OG1' ' A' ' 140' ' ' THR . 50.8 mt -51.76 -33.55 35.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.576 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -65.79 -51.03 62.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.559 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 143' ' ' PHE . . . . . 0.425 ' O ' ' HB2' ' A' ' 147' ' ' ARG . 5.7 t80 -66.86 -38.91 87.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.517 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.568 HD12 ' HB2' ' A' ' 148' ' ' LEU . 1.8 tp -71.09 -35.49 71.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.558 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 58.2 ttp180 -83.05 -10.59 58.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.554 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -112.0 -4.75 14.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.603 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 147' ' ' ARG . . . . . 1.152 ' O ' ' N ' ' A' ' 149' ' ' LEU . 12.2 mtp180 -142.11 -110.84 0.13 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.546 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 148' ' ' LEU . . . . . 0.816 ' H ' HD22 ' A' ' 148' ' ' LEU . 1.0 OUTLIER -15.39 -27.76 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.567 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 149' ' ' LEU . . . . . 1.152 ' N ' ' O ' ' A' ' 147' ' ' ARG . 43.7 tp -49.06 -56.37 9.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.583 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -63.91 -50.59 59.95 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 151' ' ' TRP . . . . . . . . . . . . . 99.3 m95 -66.25 -55.91 13.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.83 0.348 . . . . 0.0 110.541 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 152' ' ' ILE . . . . . 0.697 ' N ' ' O ' ' A' ' 148' ' ' LEU . 10.5 tt -51.28 -34.34 14.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.553 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 46.5 tt0 -67.49 -31.16 71.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.597 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -89.09 -4.67 58.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.62 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -97.38 0.76 48.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.584 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 83.75 24.64 48.93 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 89.77 -160.4 28.77 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 158' ' ' TRP . . . . . 0.502 ' CD1' HD11 ' A' ' 152' ' ' ILE . 32.4 m95 -73.86 -5.68 42.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.851 0.358 . . . . 0.0 110.57 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -60.89 -42.43 97.99 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.586 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -54.39 -32.26 51.94 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 161' ' ' LEU . . . . . 0.578 ' O ' HD23 ' A' ' 161' ' ' LEU . 2.1 tt -62.86 -54.05 44.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.878 0.37 . . . . 0.0 110.597 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 58.6 tp -66.99 -31.23 71.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.545 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 5.3 t -66.65 -26.51 67.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.54 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 93.5 t80 -76.25 -42.82 44.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.55 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -71.66 47.95 0.14 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.542 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -130.69 38.79 1.89 Allowed Glycine 0 CA--C 1.526 0.74 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 167' ' ' THR . . . . . 1.093 ' OG1' ' HD2' ' A' ' 168' ' ' PRO . 0.6 OUTLIER -108.28 -178.84 0.61 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 120.846 0.355 . . . . 0.0 110.609 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 168' ' ' PRO . . . . . 1.093 ' HD2' ' OG1' ' A' ' 167' ' ' THR . 56.9 Cg_endo -74.83 -146.77 0.03 OUTLIER 'Trans proline' 0 C--N 1.304 -1.782 0 C-N-CA 122.875 2.384 . . . . 0.0 112.227 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 169' ' ' THR . . . . . 0.601 ' C ' ' O ' ' A' ' 168' ' ' PRO . 29.3 p -21.64 100.31 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.546 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 170' ' ' TRP . . . . . 0.687 ' O ' HG22 ' A' ' 173' ' ' VAL . 34.0 p90 -64.14 -18.58 64.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.566 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 171' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.35 -13.97 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.571 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 172' ' ' THR . . . . . 0.514 ' O ' HG22 ' A' ' 175' ' ' ILE . 5.0 m -87.14 -29.56 21.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.507 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 173' ' ' VAL . . . . . 0.687 HG22 ' O ' ' A' ' 170' ' ' TRP . 2.0 m -71.96 -45.73 62.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.593 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 174' ' ' THR . . . . . 0.566 ' N ' ' CG2' ' A' ' 173' ' ' VAL . 24.9 m -64.51 -24.94 67.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.55 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 175' ' ' ILE . . . . . 0.514 HG22 ' O ' ' A' ' 172' ' ' THR . 1.7 tt -85.81 -7.5 10.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.585 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 176' ' ' PHE . . . . . 0.483 ' O ' HG12 ' A' ' 180' ' ' VAL . 63.9 t80 -94.67 -60.07 1.79 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.548 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 3.2 m -62.09 -16.66 16.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.59 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 178' ' ' ALA . . . . . 0.624 ' O ' ' OG1' ' A' ' 182' ' ' THR . . . -95.57 -45.87 6.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.516 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -62.4 -26.15 67.71 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 180' ' ' VAL . . . . . 0.698 HG13 ' N ' ' A' ' 181' ' ' LEU . 13.7 p -86.25 -51.71 12.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.796 0.331 . . . . 0.0 110.574 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 181' ' ' LEU . . . . . 0.698 ' N ' HG13 ' A' ' 180' ' ' VAL . 41.1 tp -69.21 -48.08 63.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.595 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 182' ' ' THR . . . . . 0.624 ' OG1' ' O ' ' A' ' 178' ' ' ALA . 25.8 m -50.5 -51.32 48.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.588 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -47.4 -45.66 25.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.587 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 184' ' ' SER . . . . . . . . . . . . . 27.7 t -54.57 -37.87 65.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.526 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 61.5 mt -77.64 -21.65 51.91 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.586 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 21.0 m -73.28 -44.86 58.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.548 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 187' ' ' ILE . . . . . 0.638 HG23 ' N ' ' A' ' 188' ' ' TRP . 12.4 tt -73.71 -51.52 24.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.636 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 188' ' ' TRP . . . . . 0.638 ' N ' HG23 ' A' ' 187' ' ' ILE . 0.1 OUTLIER -30.81 -56.82 0.22 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.642 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 8.0 mmtt -175.83 128.18 0.24 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.589 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 190' ' ' LYS . . . . . . . . . . . . . 13.1 ptpt -109.77 89.53 3.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.597 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 191' ' ' MET . . . . . . . . . . . . . 83.1 mtp -128.6 136.54 50.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.527 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.779 0 CA-C-O 117.983 -1.454 . . . . 0.0 110.985 179.943 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.902 ' O ' HD12 ' A' ' 19' ' ' ILE . 1.7 p . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.773 0.32 . . . . 0.0 110.697 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 29.4 m -95.18 -18.59 20.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.541 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -92.78 -49.08 6.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.59 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -56.58 -33.65 66.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.64 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.902 HD12 ' O ' ' A' ' 15' ' ' SER . 64.8 mt -73.95 -50.35 29.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.602 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 48.4 ttp -58.06 -36.21 72.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.655 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.421 ' O ' HD23 ' A' ' 25' ' ' LEU . 96.6 mttt -68.17 -43.67 77.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.667 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 66.8 m -72.82 -14.26 61.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.611 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -74.2 -54.23 6.4 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.685 ' O ' ' CG ' ' A' ' 28' ' ' GLN . . . -77.17 -10.83 59.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.747 0.308 . . . . 0.0 110.571 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.533 ' O ' ' C ' ' A' ' 26' ' ' LEU . 1.9 mm? -86.22 -78.63 0.27 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.572 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.533 ' C ' ' O ' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -28.96 -64.59 0.1 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.534 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.406 ' O ' HG13 ' A' ' 31' ' ' ILE . 57.0 mt -52.33 -56.89 11.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.586 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.846 ' NE2' HD11 ' A' ' 45' ' ' LEU . 64.2 mm-40 -48.43 -18.12 0.21 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.602 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.532 ' O ' ' N ' ' A' ' 31' ' ' ILE . . . -88.47 -72.47 1.28 Allowed Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 43.4 t80 -42.39 -18.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.805 0.336 . . . . 0.0 110.574 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.532 ' N ' ' O ' ' A' ' 29' ' ' GLY . 90.2 mt -76.97 -69.03 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.564 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.542 ' CG ' ' O ' ' A' ' 32' ' ' GLN . 4.9 tt0 -78.99 29.86 0.21 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.519 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.412 ' H ' ' C ' ' A' ' 31' ' ' ILE . 65.9 t0 -112.85 -51.05 2.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.561 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.4 ' NH2' ' OD2' ' A' ' 71' ' ' ASP . 15.9 ptm180 -91.23 -26.97 18.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.602 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.471 ' CB ' HD22 ' A' ' 122' ' ' LEU . . . -99.25 -12.77 20.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.56 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.664 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.963 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_exo . . . . . 0 N--CA 1.493 1.467 0 CA-C-O 120.837 0.265 . . . . 0.0 112.06 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.427 ' OE1' ' N ' ' A' ' 44' ' ' GLU . 57.2 mp0 -90.11 -12.99 36.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.579 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.846 HD11 ' NE2' ' A' ' 28' ' ' GLN . 32.0 tp -100.88 68.94 1.31 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.554 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.486 ' O ' ' CD1' ' A' ' 47' ' ' LEU . . . -77.57 140.56 39.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.608 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.486 ' CD1' ' O ' ' A' ' 46' ' ' ALA . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.571 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.829 0.347 . . . . 0.0 110.518 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -84.07 -2.84 57.46 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.618 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 10.4 t -56.74 -39.42 73.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.548 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 79.4 p -81.04 -33.84 33.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.603 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 30.0 ttpt -50.63 -54.71 20.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.538 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 30.3 ttpt -60.04 -47.56 85.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.661 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.5 mt -62.1 -26.44 68.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.541 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.7 t -71.16 -35.49 71.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.571 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 76.6 mt-10 -63.65 -31.91 73.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.539 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 94.5 m -64.24 -37.83 88.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.591 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.463 ' N ' HD12 ' A' ' 63' ' ' LEU . 10.9 mp -75.23 -24.65 57.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.598 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -84.29 -36.65 22.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.503 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.441 ' O ' ' OE2' ' A' ' 69' ' ' GLU . 99.7 mtt180 -68.59 -44.42 74.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.575 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 19.0 tt -76.5 -35.04 25.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.599 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.426 ' O ' ' CB ' ' A' ' 71' ' ' ASP . . . -61.01 -45.42 96.65 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 44.0 t0 -62.7 -34.35 76.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.85 0.357 . . . . 0.0 110.61 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.526 ' OE1' ' N ' ' A' ' 69' ' ' GLU . 0.3 OUTLIER -79.53 -58.57 3.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.563 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 2.2 mt -55.18 -43.06 74.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.55 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.426 ' CB ' ' O ' ' A' ' 67' ' ' GLY . 52.8 t0 -65.09 -8.72 17.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.602 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.5 t -96.33 7.0 47.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.62 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -92.95 111.51 23.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.535 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 51.8 ttp -68.34 -11.13 59.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.552 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -80.39 -67.33 0.78 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.571 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 56.0 tp -59.79 -40.2 87.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.642 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 45.0 tt0 -61.83 -37.93 86.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.592 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 75.8 ttt180 -68.5 -44.86 73.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.65 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.422 ' SD ' HG23 ' A' ' 182' ' ' THR . 54.8 mtt -54.56 -43.84 72.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.624 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.644 ' O ' HG12 ' A' ' 83' ' ' VAL . 82.5 mt -62.4 -23.8 33.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.573 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -85.89 -18.73 31.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.584 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -86.56 -15.19 40.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.6 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.872 ' O ' HG13 ' A' ' 83' ' ' VAL . 7.7 p -89.65 82.82 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.563 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 50.3 p-10 -41.54 161.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.546 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 79.4 m -118.72 121.95 41.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.598 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -150.7 0.27 0.41 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.46 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.648 ' O ' HG12 ' A' ' 91' ' ' VAL . 43.5 t -175.77 85.03 0.29 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.51 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.515 ' O ' ' CB ' ' A' ' 92' ' ' PHE . 28.6 Cg_endo -65.68 -17.13 56.02 Favored 'Trans proline' 0 C--N 1.305 -1.753 0 C-N-CA 122.781 2.321 . . . . 0.0 112.069 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 17.3 ptt-85 -84.63 -35.74 22.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.465 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -77.16 -58.61 3.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.52 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.665 HG13 ' N ' ' A' ' 92' ' ' PHE . 9.8 p -56.47 -51.94 58.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.553 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.665 ' N ' HG13 ' A' ' 91' ' ' VAL . 84.8 t80 -45.38 -52.95 9.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.479 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -67.19 -30.76 70.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.538 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 15.7 tpp180 -71.16 -58.27 3.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.482 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.627 HG23 ' N ' ' A' ' 96' ' ' ALA . 28.4 m -59.13 -48.23 87.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.553 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.627 ' N ' HG23 ' A' ' 95' ' ' VAL . . . -54.87 -27.75 45.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.542 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -81.82 -38.99 24.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.555 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 99' ' ' MET . 99.7 m-20 -63.02 -38.81 92.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.558 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' MET . . . . . 0.539 ' HB2' HH21 ' A' ' 109' ' ' ARG . 64.6 mtt -38.29 -68.92 0.14 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.548 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.608 ' CD2' ' O ' ' A' ' 100' ' ' PHE . 17.2 p90 -111.24 57.64 0.62 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.498 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.3 t -74.79 -26.77 59.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.571 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' ASP . . . . . 0.535 ' O ' ' C ' ' A' ' 103' ' ' GLY . 55.2 p-10 -155.63 -18.38 0.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.605 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.535 ' C ' ' O ' ' A' ' 102' ' ' ASP . . . -26.27 -80.75 0.01 OUTLIER Glycine 0 CA--C 1.524 0.594 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' ASN . . . . . 0.609 ' O ' ' CG ' ' A' ' 105' ' ' PHE . 9.1 m-20 174.57 34.31 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.725 0.298 . . . . 0.0 110.491 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.609 ' CG ' ' O ' ' A' ' 104' ' ' ASN . 31.0 p90 42.72 29.17 0.15 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.56 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.523 ' O ' ' HB2' ' A' ' 107' ' ' TRP . 26.9 p30 -52.2 -110.33 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.604 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' TRP . . . . . 0.529 ' HE1' HD12 ' A' ' 148' ' ' LEU . 6.3 t90 174.47 -26.11 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.617 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' GLY . . . . . 0.598 ' O ' HG12 ' A' ' 111' ' ' VAL . . . -50.2 -42.07 40.16 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' ARG . . . . . 0.539 HH21 ' HB2' ' A' ' 99' ' ' MET . 0.0 OUTLIER -48.18 -25.99 1.72 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.818 0.342 . . . . 0.0 110.575 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.529 HG21 ' NE1' ' A' ' 107' ' ' TRP . 37.2 t -52.69 -57.83 3.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.57 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.598 HG12 ' O ' ' A' ' 108' ' ' GLY . 4.9 p -45.27 -46.82 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.527 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.583 ' N ' HG13 ' A' ' 111' ' ' VAL . . . -58.04 -35.05 70.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.602 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.668 ' O ' HD23 ' A' ' 113' ' ' LEU . 2.0 tt -56.89 -46.73 81.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.539 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 114' ' ' PHE . . . . . 0.446 ' CZ ' ' CG1' ' A' ' 110' ' ' VAL . 10.0 m-85 -57.29 -43.93 83.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.544 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 92.0 t80 -68.23 -43.4 78.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.448 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.456 ' CE2' HG21 ' A' ' 95' ' ' VAL . 93.0 t80 -59.19 -41.87 89.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.552 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.506 ' O ' HG23 ' A' ' 121' ' ' VAL . . . -71.08 -32.47 69.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.549 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 5.0 t -48.59 -44.16 36.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.516 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.817 ' O ' ' CB ' ' A' ' 123' ' ' LYS . 58.7 mmtt -60.13 -43.69 95.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.504 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 52.5 mt -68.03 -30.96 70.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.531 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.704 HG13 HG23 ' A' ' 133' ' ' ILE . 58.5 t -77.39 -53.59 14.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.542 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.471 HD22 ' CB ' ' A' ' 35' ' ' ALA . 69.7 mt -72.74 -40.92 65.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.587 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.817 ' CB ' ' O ' ' A' ' 119' ' ' LYS . 88.8 tttt -58.08 -41.01 82.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.548 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.514 ' O ' ' OG1' ' A' ' 127' ' ' THR . . . -75.85 -21.57 57.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.488 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.406 HD12 ' HA ' ' A' ' 125' ' ' LEU . 43.1 tp -63.52 -31.84 73.12 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.593 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 5.7 t -83.65 -35.32 24.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.549 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.739 ' O ' ' HB2' ' A' ' 128' ' ' LYS . 35.5 p -54.07 -19.59 5.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.497 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 128' ' ' LYS . . . . . 0.739 ' HB2' ' O ' ' A' ' 127' ' ' THR . 77.9 mttt 87.57 46.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.56 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 129' ' ' VAL . . . . . 0.491 ' CG2' ' OG1' ' A' ' 127' ' ' THR . 0.2 OUTLIER -148.9 85.97 5.86 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.543 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 130' ' ' PRO . . . . . 0.408 ' HA ' HG12 ' A' ' 133' ' ' ILE . 34.4 Cg_endo -67.66 -15.84 45.41 Favored 'Trans proline' 0 C--N 1.305 -1.761 0 C-N-CA 122.762 2.308 . . . . 0.0 112.037 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 46.7 tt0 -62.96 -42.71 99.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.469 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 8.6 mp -59.51 -34.41 72.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.502 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.704 HG23 HG13 ' A' ' 121' ' ' VAL . 22.2 mm -56.65 -50.35 74.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.548 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 134' ' ' ARG . . . . . 0.429 HH21 ' H ' ' A' ' 46' ' ' ALA . 2.1 mpt_? -69.04 -34.84 75.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.464 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 8.9 m -67.07 -31.96 72.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.517 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 136' ' ' ILE . . . . . 0.422 HG21 ' CG2' ' A' ' 121' ' ' VAL . 44.7 mt -69.72 -58.99 4.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.558 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 5.2 ptm -46.3 -25.52 0.64 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.542 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -68.57 -40.51 86.07 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 139' ' ' TRP . . . . . 0.503 ' CD1' ' N ' ' A' ' 139' ' ' TRP . 13.4 m0 -66.44 -24.31 66.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.833 0.349 . . . . 0.0 110.578 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 140' ' ' THR . . . . . 0.478 ' OG1' ' N ' ' A' ' 141' ' ' LEU . 20.7 p -75.59 -65.75 0.86 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.513 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 141' ' ' LEU . . . . . 0.478 ' N ' ' OG1' ' A' ' 140' ' ' THR . 53.0 mt -51.89 -33.62 37.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.508 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -65.64 -51.14 61.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.568 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 143' ' ' PHE . . . . . 0.437 ' O ' ' HB2' ' A' ' 147' ' ' ARG . 5.4 t80 -66.8 -38.89 87.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.53 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.562 HD12 ' HB2' ' A' ' 148' ' ' LEU . 1.8 tp -71.02 -35.58 72.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.563 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 58.9 ttp180 -82.96 -10.76 58.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.559 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -111.97 -4.64 14.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.589 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 147' ' ' ARG . . . . . 1.153 ' O ' ' N ' ' A' ' 149' ' ' LEU . 11.0 mtp180 -142.18 -110.91 0.13 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.536 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 148' ' ' LEU . . . . . 0.812 ' H ' HD22 ' A' ' 148' ' ' LEU . 1.0 OUTLIER -15.27 -27.81 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.598 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 149' ' ' LEU . . . . . 1.153 ' N ' ' O ' ' A' ' 147' ' ' ARG . 60.7 tp -49.14 -56.32 9.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.554 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -63.9 -50.63 59.67 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 151' ' ' TRP . . . . . . . . . . . . . 99.0 m95 -66.23 -55.84 14.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.825 0.345 . . . . 0.0 110.541 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 152' ' ' ILE . . . . . 0.697 ' N ' ' O ' ' A' ' 148' ' ' LEU . 10.8 tt -51.37 -34.3 15.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.572 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 55.5 mt-30 -67.38 -31.39 71.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.56 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -89.0 -4.43 58.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.521 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -97.61 0.79 47.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.555 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 83.65 24.57 49.61 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 89.91 -160.33 28.55 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 158' ' ' TRP . . . . . 0.482 ' CD1' HD11 ' A' ' 152' ' ' ILE . 34.1 m95 -74.01 -5.56 42.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.803 0.335 . . . . 0.0 110.587 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 65.1 t0 -61.03 -42.32 98.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.588 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -54.56 -32.04 52.94 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 161' ' ' LEU . . . . . 0.583 ' O ' HD23 ' A' ' 161' ' ' LEU . 2.0 tt -63.07 -53.92 46.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.872 0.368 . . . . 0.0 110.565 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 56.9 tp -67.26 -30.86 70.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.592 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 22.0 t -67.11 -25.73 66.35 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.586 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 93.2 t80 -77.24 -42.39 37.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.574 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -71.6 48.27 0.14 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.584 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -131.57 39.58 1.75 Allowed Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 167' ' ' THR . . . . . 0.943 ' OG1' ' HD2' ' A' ' 168' ' ' PRO . 0.6 OUTLIER -108.98 177.55 1.23 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 120.867 0.365 . . . . 0.0 110.577 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 168' ' ' PRO . . . . . 0.943 ' HD2' ' OG1' ' A' ' 167' ' ' THR . 38.1 Cg_endo -69.64 -145.15 0.02 OUTLIER 'Trans proline' 0 C--N 1.304 -1.774 0 C-N-CA 122.808 2.339 . . . . 0.0 112.064 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 169' ' ' THR . . . . . 0.578 ' C ' ' O ' ' A' ' 168' ' ' PRO . 20.6 p -24.73 103.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.551 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 170' ' ' TRP . . . . . 0.68 ' O ' HG22 ' A' ' 173' ' ' VAL . 31.1 p90 -66.08 -18.61 65.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.571 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 171' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.0 -14.29 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.479 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 172' ' ' THR . . . . . 0.516 ' O ' HG22 ' A' ' 175' ' ' ILE . 5.0 m -86.85 -29.48 22.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.58 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 173' ' ' VAL . . . . . 0.68 HG22 ' O ' ' A' ' 170' ' ' TRP . 2.0 m -72.17 -45.56 61.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.619 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 174' ' ' THR . . . . . 0.567 ' N ' ' CG2' ' A' ' 173' ' ' VAL . 24.9 m -64.63 -24.97 67.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.557 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 175' ' ' ILE . . . . . 0.516 HG22 ' O ' ' A' ' 172' ' ' THR . 1.7 tt -85.72 -7.41 10.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.613 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 176' ' ' PHE . . . . . 0.484 ' O ' HG12 ' A' ' 180' ' ' VAL . 63.8 t80 -94.71 -60.09 1.78 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.497 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 3.1 m -62.13 -16.62 16.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.595 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 178' ' ' ALA . . . . . 0.618 ' O ' ' OG1' ' A' ' 182' ' ' THR . . . -95.57 -45.92 6.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.575 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -62.31 -26.18 67.56 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 180' ' ' VAL . . . . . 0.699 HG13 ' N ' ' A' ' 181' ' ' LEU . 13.6 p -86.23 -51.78 12.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.837 0.351 . . . . 0.0 110.586 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 181' ' ' LEU . . . . . 0.699 ' N ' HG13 ' A' ' 180' ' ' VAL . 42.0 tp -69.23 -47.98 63.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.614 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 182' ' ' THR . . . . . 0.618 ' OG1' ' O ' ' A' ' 178' ' ' ALA . 26.5 m -50.54 -51.41 48.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.552 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -47.33 -45.61 24.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.622 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 184' ' ' SER . . . . . . . . . . . . . 27.8 t -54.53 -37.85 65.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.552 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 58.4 mt -77.7 -21.72 51.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.517 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 20.5 m -73.22 -44.79 59.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.635 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 187' ' ' ILE . . . . . 0.635 HG23 ' N ' ' A' ' 188' ' ' TRP . 12.2 tt -73.72 -51.67 23.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.556 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 188' ' ' TRP . . . . . 0.635 ' N ' HG23 ' A' ' 187' ' ' ILE . 0.2 OUTLIER -30.66 -56.98 0.21 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.59 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 8.1 mmtt -175.78 128.25 0.24 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.559 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 190' ' ' LYS . . . . . . . . . . . . . 36.4 pttt -109.91 89.53 3.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.561 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 191' ' ' MET . . . . . . . . . . . . . 82.8 mtp -128.56 136.57 50.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.518 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.819 0 CA-C-O 118.036 -1.424 . . . . 0.0 110.888 179.962 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.7 ptt? . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.66 ' OD1' ' N ' ' A' ' 3' ' ' GLY . 48.6 p-10 -65.21 -40.6 94.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.532 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.66 ' N ' ' OD1' ' A' ' 2' ' ' ASP . . . 81.06 -80.89 1.67 Allowed Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 18.0 m -152.53 -22.68 0.17 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.769 0.319 . . . . 0.0 110.584 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 162.41 -161.75 33.83 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 1.018 ' O ' ' HB3' ' A' ' 7' ' ' GLN . 7.7 tp10 -128.4 103.0 6.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.771 0.319 . . . . 0.0 110.575 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 1.018 ' HB3' ' O ' ' A' ' 6' ' ' GLU . 3.7 tp-100 97.04 66.98 0.01 OUTLIER Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.539 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.538 ' O ' ' O ' ' A' ' 7' ' ' GLN . 43.9 Cg_exo -51.87 -138.43 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.722 0 C-N-CA 122.788 2.325 . . . . 0.0 112.136 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 58.1 mtp180 -124.08 144.57 49.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.595 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.436 ' O ' ' C ' ' A' ' 11' ' ' GLY . . . -175.7 98.44 0.12 Allowed Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 10' ' ' GLY . . . -36.26 124.25 0.83 Allowed Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.439 ' H ' ' HD3' ' A' ' 13' ' ' PRO . . . 104.51 71.15 0.83 Allowed Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.799 ' O ' ' N ' ' A' ' 15' ' ' SER . 50.3 Cg_exo -49.12 -65.46 0.16 Allowed 'Trans proline' 0 C--N 1.305 -1.751 0 CA-C-O 113.446 -2.814 . . . . 0.0 112.117 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.722 ' O ' ' O ' ' A' ' 15' ' ' SER . 1.7 p -46.74 43.16 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 O-C-N 128.932 3.895 . . . . 0.0 110.469 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.799 ' N ' ' O ' ' A' ' 13' ' ' PRO . 94.2 p -47.65 -148.69 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.646 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.3 m -97.82 -17.22 19.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.591 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.44 ' HA ' ' OE1' ' A' ' 17' ' ' GLU . 47.1 mm-40 -63.73 -52.35 60.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.593 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.54 ' CD ' ' O ' ' A' ' 18' ' ' GLN . 3.4 tm0? -70.23 -20.45 63.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.565 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.775 HD12 ' O ' ' A' ' 15' ' ' SER . 87.2 mt -84.29 -56.08 6.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.541 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 46.4 ttp -52.19 -37.27 54.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.571 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.402 ' O ' HD23 ' A' ' 25' ' ' LEU . 40.7 tptt -66.51 -46.89 74.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.517 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.47 HG22 ' O ' ' A' ' 22' ' ' THR . 47.7 m -71.86 -7.09 46.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.517 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -80.18 -54.1 3.93 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.71 -8.71 58.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.809 0.338 . . . . 0.0 110.517 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.552 ' O ' ' C ' ' A' ' 26' ' ' LEU . 2.1 mm? -86.99 -81.03 0.23 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.566 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.552 ' C ' ' O ' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -26.57 -65.88 0.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.587 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.421 ' C ' ' N ' ' A' ' 29' ' ' GLY . 4.6 tp -51.15 -57.96 7.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.559 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.42 ' HA ' HD12 ' A' ' 31' ' ' ILE . 7.4 tp-100 -47.28 -18.04 0.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.54 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.542 ' O ' ' N ' ' A' ' 31' ' ' ILE . . . -88.68 -72.77 1.28 Allowed Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.961 -0.855 . . . . 0.0 110.961 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 42.0 t80 -42.15 -18.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.77 0.319 . . . . 0.0 110.544 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.542 ' N ' ' O ' ' A' ' 29' ' ' GLY . 84.7 mt -76.97 -69.26 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.605 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.459 ' OE1' ' HB2' ' A' ' 43' ' ' PRO . 9.3 tt0 -78.85 30.16 0.2 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.564 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.415 ' H ' ' C ' ' A' ' 31' ' ' ILE . 67.0 t0 -113.17 -50.92 2.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.536 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 -91.38 -26.92 18.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.534 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.471 ' CB ' HD22 ' A' ' 122' ' ' LEU . . . -99.31 -12.66 20.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.575 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -60.53 90.82 0.05 OUTLIER Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.427 ' NH2' ' HA2' ' A' ' 40' ' ' GLY . 72.8 ttp85 -67.32 148.72 51.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.791 0.329 . . . . 0.0 110.551 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 66.9 mtt -87.16 136.18 33.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.559 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 83.73 9.66 82.6 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.427 ' HA2' ' NH2' ' A' ' 37' ' ' ARG . . . -94.19 86.1 1.06 Allowed Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.521 ' O ' ' HB3' ' A' ' 42' ' ' ALA . 42.0 tp10 -65.65 146.3 54.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.823 0.344 . . . . 0.0 110.535 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.521 ' HB3' ' O ' ' A' ' 41' ' ' GLU . . . 69.96 72.0 0.32 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.589 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.459 ' HB2' ' OE1' ' A' ' 32' ' ' GLN . 35.1 Cg_endo -67.91 139.66 48.06 Favored 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 122.765 2.31 . . . . 0.0 112.048 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -75.67 -15.13 60.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.65 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.863 HD22 ' N ' ' A' ' 45' ' ' LEU . 0.5 OUTLIER -93.6 64.28 3.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.609 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -83.49 131.79 34.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.579 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 175.74 -72.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.583 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.487 ' OD1' ' C ' ' A' ' 48' ' ' ASP . 0.3 OUTLIER -120.71 126.32 26.75 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.562 -179.928 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -53.9 -55.16 3.73 Favored 'Trans proline' 0 C--N 1.306 -1.696 0 C-N-CA 122.797 2.332 . . . . 0.0 111.989 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.988 ' CG2' ' HD2' ' A' ' 51' ' ' PRO . 10.8 p -162.91 151.14 11.8 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.478 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.988 ' HD2' ' CG2' ' A' ' 50' ' ' VAL . 36.8 Cg_endo -68.78 127.41 15.33 Favored 'Trans proline' 0 C--N 1.305 -1.746 0 C-N-CA 122.802 2.335 . . . . 0.0 112.08 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 82.5 mt-30 -74.88 -72.25 0.3 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.598 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.453 ' OD1' ' O ' ' A' ' 53' ' ' ASP . 50.7 p-10 -63.51 148.31 49.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.609 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -83.84 -2.31 56.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.576 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 13.9 t -58.07 -39.78 79.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.546 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 77.0 p -81.83 -33.83 30.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.572 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 31.5 tptt -50.43 -54.76 19.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.566 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 30.6 ttpt -59.9 -47.74 84.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.576 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.64 ' O ' HD23 ' A' ' 59' ' ' LEU . 0.9 OUTLIER -61.98 -26.33 68.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.541 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.5 t -71.37 -35.35 71.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.579 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -63.81 -31.74 73.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.582 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 93.3 m -64.28 -37.8 88.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.556 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.461 ' N ' HD12 ' A' ' 63' ' ' LEU . 10.0 mp -75.36 -24.65 57.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.525 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.9 ttpm? -84.28 -36.63 22.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.58 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.441 ' O ' ' OE2' ' A' ' 69' ' ' GLU . 99.7 mtt180 -68.53 -44.43 74.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.573 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 19.1 tt -76.52 -35.02 25.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.571 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.426 ' O ' ' CB ' ' A' ' 71' ' ' ASP . . . -61.08 -45.36 96.73 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 57.5 t0 -62.76 -34.32 76.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.806 0.336 . . . . 0.0 110.56 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.536 ' OE1' ' N ' ' A' ' 69' ' ' GLU . 0.3 OUTLIER -79.64 -58.54 3.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.54 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.447 ' O ' ' OE1' ' A' ' 77' ' ' GLN . 2.3 mt -55.07 -43.13 73.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.596 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.426 ' CB ' ' O ' ' A' ' 67' ' ' GLY . 54.3 t0 -65.03 -8.79 17.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.539 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.2 t -96.4 7.09 47.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.578 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.448 ' O ' ' OE1' ' A' ' 77' ' ' GLN . 7.7 m120 -93.0 111.46 23.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.578 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 95.8 mmm -68.27 -11.23 59.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.571 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -80.4 -67.19 0.79 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.581 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 54.8 tp -59.88 -40.26 88.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.576 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.448 ' OE1' ' O ' ' A' ' 73' ' ' ASN . 1.2 mp0 -61.75 -37.92 86.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.604 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 75.1 ttt180 -68.54 -44.87 73.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.591 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.488 ' SD ' HG23 ' A' ' 182' ' ' THR . 74.2 mtp -54.57 -43.86 72.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.593 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.644 ' O ' HG12 ' A' ' 83' ' ' VAL . 86.1 mt -62.37 -23.8 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.552 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -85.96 -18.65 32.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.596 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -86.66 -15.11 40.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.604 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.875 ' O ' HG13 ' A' ' 83' ' ' VAL . 7.7 p -89.69 82.58 2.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.604 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 55.3 p-10 -41.06 161.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.516 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 86.9 m -118.94 121.18 39.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.657 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -149.82 0.15 0.47 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.49 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.657 ' O ' HG12 ' A' ' 91' ' ' VAL . 47.4 t -175.94 86.31 0.29 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.512 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.509 ' O ' ' CB ' ' A' ' 92' ' ' PHE . 31.6 Cg_endo -66.95 -16.51 49.87 Favored 'Trans proline' 0 C--N 1.305 -1.738 0 C-N-CA 122.779 2.319 . . . . 0.0 112.051 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 16.2 ptt-85 -85.15 -34.96 22.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.509 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -78.27 -58.11 3.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.505 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.66 HG13 ' N ' ' A' ' 92' ' ' PHE . 9.6 p -56.98 -51.54 67.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.526 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.66 ' N ' HG13 ' A' ' 91' ' ' VAL . 81.0 t80 -45.79 -52.54 11.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.489 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -67.49 -30.67 70.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.522 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 15.9 tpp180 -71.36 -58.11 3.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.492 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.624 HG23 ' N ' ' A' ' 96' ' ' ALA . 28.8 m -59.24 -48.1 88.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.556 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.624 ' N ' HG23 ' A' ' 95' ' ' VAL . . . -55.04 -27.69 46.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.542 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -81.9 -38.9 24.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.546 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 99' ' ' MET . 99.5 m-20 -63.14 -38.7 92.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.532 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' MET . . . . . 0.531 ' HB2' HH21 ' A' ' 109' ' ' ARG . 64.0 mtt -38.35 -68.95 0.13 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.537 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.601 ' CD2' ' O ' ' A' ' 100' ' ' PHE . 15.8 p90 -111.18 57.6 0.62 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.564 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.3 t -74.74 -26.8 60.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.571 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.535 ' O ' ' C ' ' A' ' 103' ' ' GLY . 54.6 p-10 -155.6 -18.3 0.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.536 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.535 ' C ' ' O ' ' A' ' 102' ' ' ASP . . . -26.37 -80.67 0.01 OUTLIER Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ASN . . . . . 0.608 ' O ' ' CG ' ' A' ' 105' ' ' PHE . 28.1 t-20 174.5 34.42 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.804 0.335 . . . . 0.0 110.568 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.608 ' CG ' ' O ' ' A' ' 104' ' ' ASN . 32.0 p90 42.6 29.15 0.15 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.555 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.521 ' O ' ' HB2' ' A' ' 107' ' ' TRP . 28.5 p30 -52.2 -110.43 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.547 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' TRP . . . . . 0.543 ' NE1' HG21 ' A' ' 110' ' ' VAL . 6.7 t90 174.55 -26.15 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.561 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.58 ' O ' HG12 ' A' ' 111' ' ' VAL . . . -50.18 -42.07 40.0 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.531 HH21 ' HB2' ' A' ' 99' ' ' MET . 0.0 OUTLIER -48.14 -26.0 1.7 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.783 0.325 . . . . 0.0 110.582 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.543 HG21 ' NE1' ' A' ' 107' ' ' TRP . 36.6 t -52.68 -57.91 3.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.477 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.58 HG12 ' O ' ' A' ' 108' ' ' GLY . 4.5 p -45.24 -46.76 3.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.535 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.577 ' N ' HG13 ' A' ' 111' ' ' VAL . . . -58.12 -35.08 70.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.513 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.674 ' O ' HD23 ' A' ' 113' ' ' LEU . 2.2 tt -56.82 -46.76 81.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.541 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.433 ' CZ ' ' CG1' ' A' ' 110' ' ' VAL . 10.3 m-85 -57.25 -44.02 83.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.546 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 92.0 t80 -68.05 -43.58 78.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.511 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.463 ' CE2' HG21 ' A' ' 95' ' ' VAL . 94.0 t80 -59.12 -41.85 89.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.535 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.497 ' O ' HG23 ' A' ' 121' ' ' VAL . . . -71.01 -32.49 69.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.551 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 5.1 t -48.65 -44.21 37.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.496 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.819 ' O ' ' CB ' ' A' ' 123' ' ' LYS . 56.4 mmtt -59.98 -43.63 94.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.536 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 51.1 mt -68.17 -30.9 70.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.557 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.722 HG13 HG23 ' A' ' 133' ' ' ILE . 60.4 t -77.4 -53.49 14.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.562 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.471 HD22 ' CB ' ' A' ' 35' ' ' ALA . 68.4 mt -73.13 -40.52 64.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.529 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.819 ' CB ' ' O ' ' A' ' 119' ' ' LYS . 89.1 tttt -58.37 -40.86 83.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.542 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.465 ' O ' ' OG1' ' A' ' 127' ' ' THR . . . -76.3 -20.54 57.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.574 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 35.6 tp -64.44 -30.55 71.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.568 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' CYS . . . . . 0.497 ' SG ' ' N ' ' A' ' 127' ' ' THR . 8.5 p -84.57 -35.78 22.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.569 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.559 ' O ' ' CB ' ' A' ' 128' ' ' LYS . 38.8 p -54.35 -17.04 2.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.586 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.559 ' CB ' ' O ' ' A' ' 127' ' ' THR . 47.6 tttm 85.14 46.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.579 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.529 ' CG2' ' OG1' ' A' ' 127' ' ' THR . 0.2 OUTLIER -148.37 86.91 5.79 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.57 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 130' ' ' PRO . . . . . 0.405 ' HA ' HG12 ' A' ' 133' ' ' ILE . 37.6 Cg_endo -69.22 -15.44 39.12 Favored 'Trans proline' 0 C--N 1.304 -1.77 0 C-N-CA 122.84 2.36 . . . . 0.0 112.066 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -63.57 -42.02 98.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.504 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 8.6 mp -60.09 -34.19 73.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.521 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.722 HG23 HG13 ' A' ' 121' ' ' VAL . 21.4 mm -56.91 -50.05 76.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.51 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 91.2 mtm-85 -69.28 -34.69 75.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.502 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 8.3 m -67.23 -32.01 72.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.494 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.414 HG21 ' CG2' ' A' ' 121' ' ' VAL . 47.7 mt -69.68 -58.84 4.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.539 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 49.6 mtt -46.44 -25.58 0.69 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.523 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -68.56 -40.58 86.08 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' TRP . . . . . 0.51 ' CD1' ' N ' ' A' ' 139' ' ' TRP . 13.3 m0 -66.27 -24.52 66.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.804 0.335 . . . . 0.0 110.518 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 140' ' ' THR . . . . . 0.479 ' OG1' ' N ' ' A' ' 141' ' ' LEU . 20.1 p -75.5 -65.79 0.85 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.562 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.479 ' N ' ' OG1' ' A' ' 140' ' ' THR . 4.1 tp -51.83 -33.59 36.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.527 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -65.8 -51.08 61.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.56 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 143' ' ' PHE . . . . . 0.451 ' O ' ' HB2' ' A' ' 147' ' ' ARG . 38.6 t80 -66.73 -38.9 87.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.604 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.569 HD12 ' HB2' ' A' ' 148' ' ' LEU . 1.7 tp -71.06 -35.52 71.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.562 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 59.8 ttp180 -83.03 -10.67 58.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.569 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -112.0 -4.55 14.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.607 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 147' ' ' ARG . . . . . 1.153 ' O ' ' N ' ' A' ' 149' ' ' LEU . 22.8 mmt180 -142.28 -110.85 0.13 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.555 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 148' ' ' LEU . . . . . 0.815 ' H ' HD22 ' A' ' 148' ' ' LEU . 1.0 OUTLIER -15.42 -27.72 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.57 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 149' ' ' LEU . . . . . 1.153 ' N ' ' O ' ' A' ' 147' ' ' ARG . 1.2 tt -49.18 -56.2 10.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.574 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -63.97 -50.55 60.03 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 151' ' ' TRP . . . . . . . . . . . . . 34.0 m95 -66.36 -55.79 14.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.827 0.346 . . . . 0.0 110.56 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 152' ' ' ILE . . . . . 0.697 ' N ' ' O ' ' A' ' 148' ' ' LEU . 8.2 tt -51.36 -34.24 14.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.553 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -67.54 -31.17 71.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.57 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -89.16 -4.54 58.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.591 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -97.53 0.78 48.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.566 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 83.68 24.63 49.26 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 89.83 -160.3 28.62 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 158' ' ' TRP . . . . . 0.661 ' CE2' HD11 ' A' ' 152' ' ' ILE . 99.2 m95 -73.94 -5.69 42.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.778 0.323 . . . . 0.0 110.569 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -60.84 -42.45 97.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.593 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -54.44 -32.13 52.18 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 161' ' ' LEU . . . . . 0.579 ' O ' HD23 ' A' ' 161' ' ' LEU . 2.1 tt -63.02 -53.99 45.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.838 0.351 . . . . 0.0 110.566 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 44.1 tp -67.14 -31.06 71.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.539 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 5.1 t -66.81 -26.1 66.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.614 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 91.1 t80 -76.9 -42.51 39.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.591 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -71.66 48.13 0.14 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.588 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -131.3 39.53 1.76 Allowed Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 167' ' ' THR . . . . . 0.995 ' OG1' ' HD2' ' A' ' 168' ' ' PRO . 0.6 OUTLIER -108.94 178.58 1.01 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 120.898 0.38 . . . . 0.0 110.537 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 168' ' ' PRO . . . . . 0.995 ' HD2' ' OG1' ' A' ' 167' ' ' THR . 43.0 Cg_endo -71.45 -145.69 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.727 0 C-N-CA 122.777 2.318 . . . . 0.0 112.092 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 169' ' ' THR . . . . . 0.589 ' C ' ' O ' ' A' ' 168' ' ' PRO . 7.1 p -23.39 102.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.532 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 170' ' ' TRP . . . . . 0.688 ' O ' HG22 ' A' ' 173' ' ' VAL . 33.1 p90 -65.45 -18.52 65.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.551 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 171' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.16 -14.35 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.581 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 172' ' ' THR . . . . . 0.513 ' O ' HG22 ' A' ' 175' ' ' ILE . 4.9 m -86.73 -29.56 22.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.574 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 173' ' ' VAL . . . . . 0.688 HG22 ' O ' ' A' ' 170' ' ' TRP . 2.0 m -72.1 -45.64 61.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.596 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 174' ' ' THR . . . . . 0.566 ' N ' ' CG2' ' A' ' 173' ' ' VAL . 24.7 m -64.59 -24.95 67.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.535 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 175' ' ' ILE . . . . . 0.513 HG22 ' O ' ' A' ' 172' ' ' THR . 1.6 tt -85.75 -7.53 10.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.573 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 176' ' ' PHE . . . . . 0.487 ' O ' HG12 ' A' ' 180' ' ' VAL . 64.1 t80 -94.65 -60.05 1.79 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.563 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 3.2 m -62.11 -16.71 16.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.582 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 178' ' ' ALA . . . . . 0.625 ' O ' ' OG1' ' A' ' 182' ' ' THR . . . -95.52 -45.91 6.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.599 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -62.3 -26.2 67.59 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 180' ' ' VAL . . . . . 0.698 HG13 ' N ' ' A' ' 181' ' ' LEU . 13.8 p -86.24 -51.74 12.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.802 0.334 . . . . 0.0 110.557 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 181' ' ' LEU . . . . . 0.698 ' N ' HG13 ' A' ' 180' ' ' VAL . 38.2 tp -69.31 -47.96 62.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.604 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 182' ' ' THR . . . . . 0.625 ' OG1' ' O ' ' A' ' 178' ' ' ALA . 25.3 m -50.48 -51.43 47.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.558 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -47.35 -45.72 24.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.564 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 184' ' ' SER . . . . . . . . . . . . . 29.4 t -54.45 -37.84 65.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.559 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 55.2 mt -77.71 -21.66 51.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.542 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 21.6 m -73.28 -44.88 58.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.576 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 187' ' ' ILE . . . . . 0.642 HG23 ' N ' ' A' ' 188' ' ' TRP . 12.9 tt -73.61 -51.71 23.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.579 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 188' ' ' TRP . . . . . 0.642 ' N ' HG23 ' A' ' 187' ' ' ILE . 0.2 OUTLIER -30.65 -56.96 0.21 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.589 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 7.6 mmtt -175.74 128.28 0.24 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.509 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 190' ' ' LYS . . . . . . . . . . . . . 14.6 ptmt -109.89 89.58 3.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.554 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 191' ' ' MET . . . . . . . . . . . . . 91.4 mtp -128.61 136.59 50.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.537 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.738 0 CA-C-O 118.03 -1.428 . . . . 0.0 110.932 -179.993 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 130' ' ' CYS . . . . . 0.753 ' SG ' ' HG3' ' B' ' 131' ' ' GLU . 0.5 OUTLIER . . . . . 0 N--CA 1.491 1.602 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 131' ' ' GLU . . . . . 0.753 ' HG3' ' SG ' ' B' ' 130' ' ' CYS . 84.1 mt-10 -131.66 166.01 22.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.543 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 132' ' ' ALA . . . . . 0.594 ' O ' ' O ' ' B' ' 131' ' ' GLU . . . 51.83 120.86 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.532 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 133' ' ' LEU . . . . . 0.656 HD12 ' N ' ' B' ' 133' ' ' LEU . 8.8 mp -92.95 -5.46 50.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.59 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 134' ' ' LYS . . . . . . . . . . . . . 68.6 mttm 48.83 24.32 0.81 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.626 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 135' ' ' LYS . . . . . . . . . . . . . 61.1 tttm -161.67 75.12 0.47 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.526 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 136' ' ' ALA . . . . . . . . . . . . . . . -172.45 9.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.55 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 76.2 mt -84.47 -81.08 0.19 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.566 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 138' ' ' ARG . . . . . . . . . . . . . 10.5 ptp85 -73.63 -24.64 60.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.542 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 139' ' ' ARG . . . . . . . . . . . . . 75.7 ttt-85 -61.81 -43.12 99.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.581 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 140' ' ' HIS . . . . . 0.649 ' O ' ' N ' ' B' ' 143' ' ' LEU . 0.1 OUTLIER -79.56 -64.91 1.08 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.531 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 141' ' ' ARG . . . . . 0.508 ' N ' ' CG ' ' B' ' 140' ' ' HIS . 58.3 ttp180 -34.24 -32.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.511 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 142' ' ' PHE . . . . . 0.536 ' N ' ' O ' ' B' ' 140' ' ' HIS . 69.1 t80 -90.6 -33.06 16.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.559 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 143' ' ' LEU . . . . . 0.649 ' N ' ' O ' ' B' ' 140' ' ' HIS . 39.5 tp -54.78 -36.12 64.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.568 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 144' ' ' TRP . . . . . 0.501 ' O ' ' C ' ' B' ' 145' ' ' GLN . 45.3 t90 -84.36 -58.71 2.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.542 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 145' ' ' GLN . . . . . 0.586 ' O ' ' N ' ' B' ' 147' ' ' ARG . 57.0 tt0 -31.68 -68.85 0.08 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.614 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 146' ' ' ARG . . . . . . . . . . . . . 60.3 ttm-85 51.91 -81.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.57 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 147' ' ' ARG . . . . . 0.586 ' N ' ' O ' ' B' ' 145' ' ' GLN . 68.5 ttt180 -138.24 137.3 37.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.581 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 148' ' ' GLN . . . . . 0.472 ' H ' ' NE2' ' B' ' 148' ' ' GLN . 3.8 mp0 -71.82 134.32 46.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.589 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 51.49 76.38 0.17 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.594 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 150' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.49 0 CA-C-O 118.0 -1.0 . . . . 0.0 110.565 -179.999 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.7 ptp . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.761 ' OD1' ' N ' ' A' ' 3' ' ' GLY . 54.7 p30 -46.04 -56.91 4.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.584 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.761 ' N ' ' OD1' ' A' ' 2' ' ' ASP . . . 84.15 -80.52 1.82 Allowed Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 38.1 m -129.98 -43.36 1.21 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.812 0.339 . . . . 0.0 110.46 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 169.72 -163.05 36.56 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.874 -0.891 . . . . 0.0 110.874 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.834 ' O ' ' HB3' ' A' ' 7' ' ' GLN . 1.1 mp0 -128.72 108.92 10.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.747 0.308 . . . . 0.0 110.493 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.853 ' N ' ' CD ' ' A' ' 8' ' ' PRO . 26.2 tp60 99.83 25.57 0.0 OUTLIER Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.463 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.853 ' CD ' ' N ' ' A' ' 7' ' ' GLN . 26.2 Cg_endo -65.39 141.39 67.8 Favored 'Trans proline' 0 C--N 1.305 -1.738 0 C-N-CA 122.774 2.316 . . . . 0.0 111.994 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 8.9 mtp180 -126.23 122.68 36.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.722 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -146.94 124.74 2.03 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.876 -0.89 . . . . 0.0 110.876 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -73.12 7.6 10.1 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -131.49 98.33 0.38 Allowed Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.85 ' O ' ' N ' ' A' ' 15' ' ' SER . 53.2 Cg_exo -47.62 -70.74 0.06 OUTLIER 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 122.768 2.312 . . . . 0.0 112.165 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.621 ' C ' ' O ' ' A' ' 13' ' ' PRO . 30.3 p -20.27 74.81 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.594 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.908 ' O ' HD12 ' A' ' 19' ' ' ILE . 1.1 p -128.83 -153.24 0.56 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.519 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.485 ' H ' ' HB2' ' A' ' 15' ' ' SER . 19.6 m -98.63 -12.75 20.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.568 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -84.19 -49.77 8.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.637 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.49 ' CD ' ' O ' ' A' ' 18' ' ' GLN . 3.5 tm0? -65.97 -22.8 66.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.508 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.908 HD12 ' O ' ' A' ' 15' ' ' SER . 90.6 mt -82.1 -55.85 7.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.433 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 51.0 ttp -52.59 -36.87 57.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.574 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 64.3 mmtt -66.85 -46.58 74.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.591 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.445 HG22 ' O ' ' A' ' 22' ' ' THR . 33.0 m -72.17 -7.24 48.06 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.512 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -80.08 -54.05 3.98 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.64 -8.81 59.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.736 0.303 . . . . 0.0 110.468 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.551 ' O ' ' C ' ' A' ' 26' ' ' LEU . 6.2 mt -86.93 -80.87 0.24 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.514 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.551 ' C ' ' O ' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -26.75 -65.93 0.07 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.596 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.419 ' C ' ' N ' ' A' ' 29' ' ' GLY . 5.6 tp -51.03 -57.93 7.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.542 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.506 ' HG2' HD21 ' A' ' 45' ' ' LEU . 8.1 tm0? -47.36 -18.12 0.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.617 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.539 ' O ' ' N ' ' A' ' 31' ' ' ILE . . . -88.56 -72.71 1.28 Allowed Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 42.7 t80 -42.23 -18.83 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.825 0.345 . . . . 0.0 110.568 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.539 ' N ' ' O ' ' A' ' 29' ' ' GLY . 88.8 mt -77.02 -69.16 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.557 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.517 ' CG ' ' O ' ' A' ' 32' ' ' GLN . 9.3 tt0 -79.0 30.04 0.21 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.57 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.414 ' H ' ' C ' ' A' ' 31' ' ' ILE . 66.4 t0 -112.94 -51.06 2.85 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.554 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 -91.17 -27.1 18.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.555 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.463 ' CB ' HD22 ' A' ' 122' ' ' LEU . . . -99.53 -12.63 19.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.576 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -62.28 -142.47 0.01 OUTLIER Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 94.0 mtt-85 55.27 26.85 9.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.802 0.334 . . . . 0.0 110.574 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 90.4 mtp -84.44 132.96 34.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.584 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -73.92 156.58 50.63 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 85.6 7.96 81.08 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 44.76 -139.32 0.37 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.814 0.34 . . . . 0.0 110.517 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.573 ' N ' ' HD3' ' A' ' 43' ' ' PRO . . . 47.98 51.92 11.52 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.543 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.573 ' HD3' ' N ' ' A' ' 42' ' ' ALA . 59.6 Cg_exo -46.52 155.1 0.8 Allowed 'Trans proline' 0 C--N 1.305 -1.752 0 C-N-CA 122.84 2.36 . . . . 0.0 112.132 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.425 ' OE1' ' N ' ' A' ' 44' ' ' GLU . 54.1 mp0 -95.64 -7.88 36.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.564 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.516 ' HG ' ' O ' ' A' ' 45' ' ' LEU . 50.5 tp -99.49 60.06 1.13 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.579 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.976 ' O ' HD23 ' A' ' 47' ' ' LEU . . . -63.18 148.52 47.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.494 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.976 HD23 ' O ' ' A' ' 46' ' ' ALA . 1.5 pp 109.99 143.04 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.549 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.515 ' C ' ' O ' ' A' ' 47' ' ' LEU . 3.6 t0 30.07 85.22 0.15 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.524 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -69.4 -25.72 30.0 Favored 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 122.717 2.278 . . . . 0.0 112.097 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.666 ' CG2' ' HD2' ' A' ' 51' ' ' PRO . 7.0 p -173.7 142.6 0.93 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.494 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.666 ' HD2' ' CG2' ' A' ' 50' ' ' VAL . 42.7 Cg_endo -71.14 -173.84 1.02 Allowed 'Trans proline' 0 C--N 1.305 -1.736 0 C-N-CA 122.819 2.346 . . . . 0.0 112.087 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -123.2 21.82 9.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.579 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.444 ' OD2' ' OG ' ' A' ' 55' ' ' SER . 52.8 p-10 -153.49 151.71 30.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.515 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -82.03 -4.0 55.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.594 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.444 ' OG ' ' OD2' ' A' ' 53' ' ' ASP . 78.2 p -56.29 -40.23 73.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.568 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 75.5 p -81.36 -33.72 32.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.486 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.0 mmmt -51.08 -54.44 24.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.543 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 29.9 ttpt -60.2 -47.37 86.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.594 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.637 ' O ' HD23 ' A' ' 59' ' ' LEU . 0.9 OUTLIER -62.31 -26.3 68.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.576 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.3 t -71.39 -35.4 71.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.546 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 75.5 mt-10 -63.76 -31.72 72.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.543 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 91.8 m -64.32 -37.78 88.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.496 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.465 ' N ' HD12 ' A' ' 63' ' ' LEU . 10.5 mp -75.33 -24.75 57.44 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.515 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -84.35 -36.58 22.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.483 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.437 ' O ' ' OE2' ' A' ' 69' ' ' GLU . 99.8 mtt180 -68.55 -44.44 74.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.593 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 18.2 tt -76.47 -35.08 25.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.588 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.425 ' O ' ' CB ' ' A' ' 71' ' ' ASP . . . -60.98 -45.37 96.74 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.445 ' OD1' ' O ' ' A' ' 68' ' ' ASP . 68.4 t0 -62.74 -34.38 77.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.796 0.331 . . . . 0.0 110.61 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.552 ' OE1' ' N ' ' A' ' 69' ' ' GLU . 0.3 OUTLIER -79.62 -58.38 3.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.613 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.46 HD23 ' HA ' ' A' ' 70' ' ' LEU . 5.2 mt -55.14 -43.13 73.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.61 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.425 ' CB ' ' O ' ' A' ' 67' ' ' GLY . 38.9 t70 -65.01 -8.77 17.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.55 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.9 t -96.36 6.99 47.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.531 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.46 ' OD1' HD23 ' A' ' 70' ' ' LEU . 8.6 m120 -92.91 111.42 23.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.638 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 94.4 mmm -68.27 -11.17 58.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.563 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -80.39 -67.28 0.78 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.583 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 50.0 tp -59.81 -40.32 87.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.583 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 49.5 tt0 -61.71 -37.96 86.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.644 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 74.9 ttt180 -68.44 -44.94 73.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.576 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.488 ' SD ' HG23 ' A' ' 182' ' ' THR . 74.2 mtp -54.55 -43.89 72.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.621 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.644 ' O ' HG12 ' A' ' 83' ' ' VAL . 86.3 mt -62.39 -23.67 32.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.559 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -86.13 -18.55 32.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.557 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -86.53 -15.42 40.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.576 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.87 ' O ' HG13 ' A' ' 83' ' ' VAL . 8.0 p -89.4 82.71 2.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.527 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.424 ' O ' ' O ' ' A' ' 83' ' ' VAL . 54.3 p-10 -40.67 162.41 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.503 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 48.5 p -119.6 119.89 35.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.644 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -148.98 -0.01 0.52 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.439 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.703 ' O ' HG12 ' A' ' 91' ' ' VAL . 41.5 t -175.81 88.32 0.29 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.501 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.489 ' O ' ' CB ' ' A' ' 92' ' ' PHE . 37.5 Cg_endo -69.13 -15.14 39.19 Favored 'Trans proline' 0 C--N 1.305 -1.735 0 C-N-CA 122.721 2.28 . . . . 0.0 112.128 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 16.4 ptt-85 -86.59 -33.88 20.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.524 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -79.68 -57.28 3.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.47 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.703 HG12 ' O ' ' A' ' 87' ' ' SER . 9.1 p -57.76 -51.01 75.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.523 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.65 ' N ' HG13 ' A' ' 91' ' ' VAL . 85.6 t80 -46.29 -51.98 13.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.463 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -68.02 -30.54 69.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.439 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 16.0 tpp180 -71.49 -57.96 3.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.553 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.624 HG23 ' N ' ' A' ' 96' ' ' ALA . 27.7 m -59.37 -48.1 88.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.491 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.624 ' N ' HG23 ' A' ' 95' ' ' VAL . . . -55.08 -27.74 47.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.487 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -81.79 -39.02 24.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.53 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 99' ' ' MET . 99.4 m-20 -63.05 -38.64 91.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.596 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' MET . . . . . 0.409 ' C ' ' O ' ' A' ' 98' ' ' ASP . 65.2 mtt -38.42 -68.86 0.14 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.599 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.612 ' CD2' ' O ' ' A' ' 100' ' ' PHE . 19.7 p90 -111.31 57.59 0.63 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.603 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.1 t -74.65 -26.79 60.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.641 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.536 ' O ' ' C ' ' A' ' 103' ' ' GLY . 55.3 p-10 -155.64 -18.31 0.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.572 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.536 ' C ' ' O ' ' A' ' 102' ' ' ASP . . . -26.38 -80.7 0.01 OUTLIER Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ASN . . . . . 0.608 ' O ' ' CG ' ' A' ' 105' ' ' PHE . 9.9 m-20 174.52 34.3 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.755 0.312 . . . . 0.0 110.592 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.608 ' CG ' ' O ' ' A' ' 104' ' ' ASN . 30.6 p90 42.66 29.13 0.15 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.543 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.52 ' O ' ' HB2' ' A' ' 107' ' ' TRP . 26.7 p30 -52.1 -110.54 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.557 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' TRP . . . . . 0.544 ' HE1' HD12 ' A' ' 148' ' ' LEU . 6.5 t90 174.65 -26.13 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.512 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.591 ' O ' HG12 ' A' ' 111' ' ' VAL . . . -50.07 -42.21 39.33 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.55 ' H ' ' HG3' ' A' ' 109' ' ' ARG . 0.0 OUTLIER -48.12 -26.1 1.73 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.74 0.305 . . . . 0.0 110.533 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.535 HG21 ' NE1' ' A' ' 107' ' ' TRP . 34.7 t -52.49 -57.95 3.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.55 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.591 HG12 ' O ' ' A' ' 108' ' ' GLY . 4.7 p -45.23 -46.75 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.596 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.58 ' N ' HG13 ' A' ' 111' ' ' VAL . . . -58.17 -34.89 70.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.519 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.661 ' O ' HD23 ' A' ' 113' ' ' LEU . 1.9 tt -57.0 -46.95 81.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.522 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -57.1 -44.07 82.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.619 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 92.0 t80 -67.86 -43.79 78.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.503 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.458 ' CE2' HG21 ' A' ' 95' ' ' VAL . 93.4 t80 -58.99 -41.79 88.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.541 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -70.95 -32.68 69.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.48 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 5.2 t -48.56 -44.43 36.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.524 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.811 ' O ' ' CB ' ' A' ' 123' ' ' LYS . 55.1 mmtt -59.68 -43.66 93.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.524 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 52.6 mt -68.15 -31.36 70.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.518 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.44 ' CG2' HG21 ' A' ' 136' ' ' ILE . 75.6 t -77.13 -53.36 14.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.511 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.463 HD22 ' CB ' ' A' ' 35' ' ' ALA . 70.0 mt -72.84 -41.19 65.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.576 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.811 ' CB ' ' O ' ' A' ' 119' ' ' LYS . 43.1 tptt -57.98 -41.55 83.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.551 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.453 ' O ' ' OG1' ' A' ' 127' ' ' THR . . . -75.05 -22.0 58.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.595 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 6.3 tt -63.0 -32.42 73.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.564 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 34.3 t -83.16 -35.64 25.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.638 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.749 ' O ' ' HB2' ' A' ' 128' ' ' LYS . 54.8 p -53.67 -18.8 3.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.588 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.749 ' HB2' ' O ' ' A' ' 127' ' ' THR . 61.3 mttp 87.39 44.8 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.574 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 48.5 t -147.91 89.54 5.28 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.534 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' PRO . . . . . 0.415 ' HA ' HD12 ' A' ' 133' ' ' ILE . 43.0 Cg_endo -71.38 -15.02 31.3 Favored 'Trans proline' 0 C--N 1.305 -1.734 0 C-N-CA 122.69 2.26 . . . . 0.0 112.028 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 131' ' ' GLU . . . . . 0.795 ' O ' HG23 ' A' ' 135' ' ' THR . 80.9 tt0 -64.46 -39.38 93.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.502 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.519 ' HA ' ' OG1' ' A' ' 135' ' ' THR . 2.2 tp -62.94 -32.27 73.54 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.527 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.415 HD12 ' HA ' ' A' ' 130' ' ' PRO . 97.5 mt -58.88 -49.46 82.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.472 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 134' ' ' ARG . . . . . 0.417 HH21 ' HB3' ' A' ' 46' ' ' ALA . 88.8 mtt180 -69.34 -34.81 75.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.558 179.815 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 135' ' ' THR . . . . . 0.795 HG23 ' O ' ' A' ' 131' ' ' GLU . 67.0 p -67.06 -32.05 72.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.451 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.44 HG21 ' CG2' ' A' ' 121' ' ' VAL . 48.0 mt -69.57 -59.03 3.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.53 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 85.2 mtp -46.38 -25.39 0.64 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.549 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -68.74 -40.48 85.29 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 139' ' ' TRP . . . . . 0.559 ' CD1' ' N ' ' A' ' 139' ' ' TRP . 9.1 m0 -66.35 -24.43 66.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.758 0.313 . . . . 0.0 110.533 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 140' ' ' THR . . . . . 0.469 ' OG1' ' N ' ' A' ' 141' ' ' LEU . 22.9 p -75.49 -65.89 0.84 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.593 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.469 ' N ' ' OG1' ' A' ' 140' ' ' THR . 54.5 mt -51.81 -33.63 36.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.514 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -65.65 -51.1 62.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.589 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 143' ' ' PHE . . . . . 0.447 ' O ' ' HB2' ' A' ' 147' ' ' ARG . 38.6 t80 -66.8 -38.94 87.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.505 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.582 HD12 ' HB2' ' A' ' 148' ' ' LEU . 2.2 tp -71.03 -35.53 72.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.577 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 58.6 ttp180 -83.02 -10.64 58.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.583 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -112.06 -4.59 14.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.528 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 147' ' ' ARG . . . . . 1.152 ' O ' ' N ' ' A' ' 149' ' ' LEU . 23.1 mmt180 -142.16 -110.81 0.13 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.556 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 148' ' ' LEU . . . . . 0.812 ' H ' HD22 ' A' ' 148' ' ' LEU . 1.0 OUTLIER -15.5 -27.79 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.536 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 149' ' ' LEU . . . . . 1.152 ' N ' ' O ' ' A' ' 147' ' ' ARG . 52.6 tp -49.04 -56.4 9.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.545 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -63.8 -50.66 59.69 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 151' ' ' TRP . . . . . . . . . . . . . 98.8 m95 -66.21 -55.91 13.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.805 0.336 . . . . 0.0 110.579 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 152' ' ' ILE . . . . . 0.695 ' N ' ' O ' ' A' ' 148' ' ' LEU . 10.2 tt -51.33 -34.24 14.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.605 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -67.5 -31.1 70.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.59 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 154' ' ' ASP . . . . . 0.458 ' OD1' ' O ' ' A' ' 154' ' ' ASP . 53.5 t0 -89.28 -4.6 58.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.539 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -97.48 0.82 48.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.544 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 83.71 24.78 48.62 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 89.73 -160.35 28.78 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 158' ' ' TRP . . . . . 0.411 ' NE1' HD11 ' A' ' 152' ' ' ILE . 49.2 m95 -73.91 -5.69 42.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.839 0.352 . . . . 0.0 110.563 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -60.81 -42.47 97.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.556 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -54.46 -32.18 52.32 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.871 -0.892 . . . . 0.0 110.871 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 161' ' ' LEU . . . . . 0.575 ' O ' HD23 ' A' ' 161' ' ' LEU . 1.9 tt -62.95 -54.04 44.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.783 0.325 . . . . 0.0 110.56 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 62.2 tp -66.98 -31.2 71.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.562 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 5.6 t -66.62 -26.47 67.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.597 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 93.5 t80 -76.32 -42.83 43.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.547 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -71.69 47.93 0.14 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.573 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -130.71 39.0 1.85 Allowed Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 167' ' ' THR . . . . . 1.081 ' OG1' ' HD2' ' A' ' 168' ' ' PRO . 0.6 OUTLIER -108.45 -178.86 0.61 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 120.855 0.36 . . . . 0.0 110.602 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 168' ' ' PRO . . . . . 1.081 ' HD2' ' OG1' ' A' ' 167' ' ' THR . 56.9 Cg_endo -74.75 -146.35 0.03 OUTLIER 'Trans proline' 0 C--N 1.305 -1.718 0 C-N-CA 122.846 2.364 . . . . 0.0 112.102 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 169' ' ' THR . . . . . 0.597 ' C ' ' O ' ' A' ' 168' ' ' PRO . 29.4 p -22.12 100.49 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.567 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 170' ' ' TRP . . . . . 0.687 ' O ' HG22 ' A' ' 173' ' ' VAL . 29.9 p90 -64.32 -18.63 64.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.628 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 171' ' ' GLN . . . . . 0.416 ' O ' HD12 ' A' ' 175' ' ' ILE . 0.0 OUTLIER -47.14 -14.15 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.549 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 172' ' ' THR . . . . . 0.473 ' N ' ' O ' ' A' ' 170' ' ' TRP . 5.0 m -87.02 -29.52 21.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.508 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 173' ' ' VAL . . . . . 0.687 HG22 ' O ' ' A' ' 170' ' ' TRP . 2.0 m -72.07 -45.66 62.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.572 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 174' ' ' THR . . . . . 0.567 ' N ' ' CG2' ' A' ' 173' ' ' VAL . 25.2 m -64.63 -24.86 67.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.53 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 175' ' ' ILE . . . . . 0.553 HG22 ' O ' ' A' ' 175' ' ' ILE . 90.5 mt -85.78 -7.53 10.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.528 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 176' ' ' PHE . . . . . 0.482 ' O ' HG12 ' A' ' 180' ' ' VAL . 63.0 t80 -94.67 -60.05 1.79 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.554 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 3.1 m -62.14 -16.76 16.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.59 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 178' ' ' ALA . . . . . 0.623 ' O ' ' OG1' ' A' ' 182' ' ' THR . . . -95.45 -45.97 6.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.556 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -62.28 -26.2 67.54 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 180' ' ' VAL . . . . . 0.698 HG13 ' N ' ' A' ' 181' ' ' LEU . 13.7 p -86.21 -51.78 12.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.81 0.338 . . . . 0.0 110.496 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 181' ' ' LEU . . . . . 0.698 ' N ' HG13 ' A' ' 180' ' ' VAL . 42.1 tp -69.27 -47.96 63.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.599 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 182' ' ' THR . . . . . 0.623 ' OG1' ' O ' ' A' ' 178' ' ' ALA . 25.6 m -50.57 -51.33 49.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.562 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -47.41 -45.65 25.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.594 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 184' ' ' SER . . . . . . . . . . . . . 29.7 t -54.43 -37.91 65.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.542 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 59.8 mt -77.62 -21.77 51.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.539 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 20.7 m -73.23 -44.86 58.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.563 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 187' ' ' ILE . . . . . 0.64 HG23 ' N ' ' A' ' 188' ' ' TRP . 12.6 tt -73.71 -51.56 24.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.561 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 188' ' ' TRP . . . . . 0.64 ' N ' HG23 ' A' ' 187' ' ' ILE . 0.2 OUTLIER -30.74 -56.98 0.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.552 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 8.0 mmtt -175.71 128.28 0.24 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.617 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 190' ' ' LYS . . . . . . . . . . . . . 14.2 ptmt -109.95 89.54 3.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.557 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 191' ' ' MET . . . . . . . . . . . . . 92.3 mtp -128.54 136.59 50.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.583 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.717 0 CA-C-O 117.981 -1.455 . . . . 0.0 110.93 -179.98 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 130' ' ' CYS . . . . . 0.511 ' O ' ' SG ' ' B' ' 130' ' ' CYS . 2.1 t . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 131' ' ' GLU . . . . . 0.714 ' O ' ' O ' ' B' ' 132' ' ' ALA . 84.7 tt0 -103.69 149.59 24.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.572 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 132' ' ' ALA . . . . . 0.714 ' O ' ' O ' ' B' ' 131' ' ' GLU . . . 44.8 164.72 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.629 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 51.5 mt -92.45 104.65 16.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.53 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 134' ' ' LYS . . . . . . . . . . . . . 36.7 ttpt -59.96 -42.81 94.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.61 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 135' ' ' LYS . . . . . 0.587 ' O ' ' HB3' ' B' ' 136' ' ' ALA . 99.8 mttt -92.09 154.84 18.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.558 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 136' ' ' ALA . . . . . 0.587 ' HB3' ' O ' ' B' ' 135' ' ' LYS . . . 73.57 45.32 0.25 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.578 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 137' ' ' LEU . . . . . 0.402 ' C ' ' NH2' ' B' ' 141' ' ' ARG . 66.0 mt -81.87 -162.55 0.55 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.543 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 138' ' ' ARG . . . . . 0.494 ' N ' ' NH2' ' B' ' 141' ' ' ARG . 17.6 ptm180 -68.28 -5.85 20.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.607 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 139' ' ' ARG . . . . . . . . . . . . . 90.7 mtm180 -62.84 -44.78 95.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.557 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 140' ' ' HIS . . . . . 0.761 ' O ' ' N ' ' B' ' 143' ' ' LEU . 71.3 m80 -79.05 -66.66 0.84 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.515 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 141' ' ' ARG . . . . . 0.494 ' NH2' ' N ' ' B' ' 138' ' ' ARG . 94.0 mtm-85 -32.44 -31.32 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.446 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 142' ' ' PHE . . . . . 0.603 ' N ' ' O ' ' B' ' 140' ' ' HIS . 22.8 m-85 -93.64 -28.45 15.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.419 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 143' ' ' LEU . . . . . 0.761 ' N ' ' O ' ' B' ' 140' ' ' HIS . 35.0 tp -59.92 -33.24 71.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.565 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 144' ' ' TRP . . . . . 0.475 ' O ' ' C ' ' B' ' 145' ' ' GLN . 65.2 t-105 -87.22 -54.95 4.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.591 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 145' ' ' GLN . . . . . 0.54 ' HG2' ' H ' ' B' ' 147' ' ' ARG . 46.9 tt0 -34.29 -70.94 0.07 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.514 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 146' ' ' ARG . . . . . 0.486 ' NE ' ' O ' ' B' ' 143' ' ' LEU . 99.8 mtt180 46.16 21.69 0.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.532 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 147' ' ' ARG . . . . . 0.54 ' H ' ' HG2' ' B' ' 145' ' ' GLN . 29.3 mmt180 46.93 22.05 0.18 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.557 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 148' ' ' GLN . . . . . . . . . . . . . 59.2 tp60 -77.91 137.07 38.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.522 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 44.1 ttm180 -138.71 138.95 38.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.567 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 150' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.415 0 CA-C-O 117.984 -1.007 . . . . 0.0 110.549 179.99 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.5 ptt? . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.674 ' O ' ' HG3' ' A' ' 8' ' ' PRO . 18.1 p-10 -53.09 -59.82 4.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.566 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.582 ' N ' ' OD1' ' A' ' 2' ' ' ASP . . . 93.64 -47.19 2.31 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 14.6 m -163.45 -33.38 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.715 0.293 . . . . 0.0 110.754 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -164.58 -117.34 0.4 Allowed Glycine 0 CA--C 1.524 0.646 0 N-CA-C 111.123 -0.791 . . . . 0.0 111.123 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.793 ' O ' ' CB ' ' A' ' 7' ' ' GLN . 7.5 tp10 -137.49 101.76 4.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.813 0.34 . . . . 0.0 110.709 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.807 ' H ' ' HD3' ' A' ' 8' ' ' PRO . 7.8 tp-100 112.61 43.36 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.683 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.807 ' HD3' ' H ' ' A' ' 7' ' ' GLN . 55.5 Cg_endo -74.17 74.6 3.52 Favored 'Trans proline' 0 C--N 1.305 -1.758 0 C-N-CA 122.86 2.373 . . . . 0.0 111.999 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.633 ' O ' ' O ' ' A' ' 8' ' ' PRO . 28.6 mtp180 -28.02 153.46 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.731 -179.854 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.61 ' O ' ' C ' ' A' ' 11' ' ' GLY . . . -143.95 55.42 0.56 Allowed Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.61 ' C ' ' O ' ' A' ' 10' ' ' GLY . . . 18.08 83.91 0.01 OUTLIER Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.526 ' N ' ' HD3' ' A' ' 13' ' ' PRO . . . 82.91 53.47 3.51 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.958 ' O ' ' N ' ' A' ' 15' ' ' SER . 53.9 Cg_exo -45.61 -80.98 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.727 0 C-N-CA 122.766 2.311 . . . . 0.0 112.124 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.646 ' C ' ' O ' ' A' ' 13' ' ' PRO . 25.0 p -13.8 65.74 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.566 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.958 ' N ' ' O ' ' A' ' 13' ' ' PRO . 53.1 p -42.45 86.08 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.563 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.623 ' N ' ' O ' ' A' ' 14' ' ' THR . 30.9 m -95.35 -18.51 20.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.602 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -90.94 -50.24 5.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.629 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.5 tm0? -55.12 -34.07 63.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.705 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.828 HD12 ' O ' ' A' ' 15' ' ' SER . 63.6 mt -73.76 -51.49 24.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.798 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 47.7 ttp -57.58 -35.49 70.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.739 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.469 ' O ' HD23 ' A' ' 25' ' ' LEU . 64.7 tttm -69.04 -42.05 76.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.718 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 30.1 m -74.22 -14.63 60.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.68 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -73.97 -54.08 6.67 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.59 -11.26 59.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.778 0.323 . . . . 0.0 110.635 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.528 ' O ' ' C ' ' A' ' 26' ' ' LEU . 2.2 mm? -86.1 -78.03 0.29 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.598 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.528 ' C ' ' O ' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -29.5 -64.34 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.567 -179.948 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.503 ' N ' HD12 ' A' ' 27' ' ' LEU . 11.0 mp -52.6 -56.37 15.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.61 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.429 ' HA ' HD12 ' A' ' 31' ' ' ILE . 4.3 tp-100 -48.81 -18.04 0.24 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.66 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.527 ' O ' ' N ' ' A' ' 31' ' ' ILE . . . -88.59 -72.27 1.27 Allowed Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 42.9 t80 -42.59 -18.85 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.804 0.335 . . . . 0.0 110.604 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.527 ' N ' ' O ' ' A' ' 29' ' ' GLY . 90.3 mt -77.05 -68.83 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.611 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -79.05 29.76 0.21 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.593 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.411 ' H ' ' C ' ' A' ' 31' ' ' ILE . 65.8 t0 -112.78 -50.98 2.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.582 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 15.7 ptm180 -91.32 -26.95 18.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.577 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.469 ' CB ' HD22 ' A' ' 122' ' ' LEU . . . -99.05 -13.15 19.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.533 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -100.62 118.74 6.28 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 80.3 mtp85 -91.66 164.58 13.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.819 0.342 . . . . 0.0 110.589 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 65.4 ttp -61.41 -40.73 95.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.565 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -81.36 -170.54 43.89 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.891 -0.883 . . . . 0.0 110.891 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 82.64 165.42 36.92 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 73.2 tt0 -143.81 160.81 40.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.768 0.318 . . . . 0.0 110.57 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 62.51 73.44 0.53 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.465 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -73.37 134.76 21.31 Favored 'Trans proline' 0 C--N 1.306 -1.697 0 C-N-CA 122.837 2.358 . . . . 0.0 112.12 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.689 ' OE1' ' N ' ' A' ' 44' ' ' GLU . 54.9 mp0 -70.12 -20.42 63.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.593 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.985 HD22 ' H ' ' A' ' 45' ' ' LEU . 0.4 OUTLIER -86.56 64.51 8.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.603 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -78.34 137.39 38.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.555 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.486 ' CG ' ' H ' ' A' ' 48' ' ' ASP . 4.1 tp -174.69 -138.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.539 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.769 ' HB3' ' HD2' ' A' ' 49' ' ' PRO . 7.9 m-20 -90.7 174.52 4.48 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.539 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.769 ' HD2' ' HB3' ' A' ' 48' ' ' ASP . 55.8 Cg_endo -74.18 118.5 5.41 Favored 'Trans proline' 0 C--N 1.304 -1.767 0 C-N-CA 122.832 2.354 . . . . 0.0 112.102 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.741 ' HB ' ' HD2' ' A' ' 51' ' ' PRO . 2.8 m -5.38 170.96 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.555 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.741 ' HD2' ' HB ' ' A' ' 50' ' ' VAL . 56.0 Cg_endo -74.06 121.89 7.24 Favored 'Trans proline' 0 C--N 1.307 -1.655 0 C-N-CA 122.823 2.349 . . . . 0.0 112.21 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 57.7 tp60 -64.6 -52.58 56.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.589 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 49.0 t0 -71.35 150.58 44.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.615 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -83.44 -3.32 57.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.616 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 77.8 p -56.76 -39.94 74.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.563 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.413 ' OG1' ' CB ' ' A' ' 51' ' ' PRO . 45.9 p -81.05 -33.8 33.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.616 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 4.5 tmtt? -50.75 -54.61 21.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.631 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 30.8 ttpt -60.16 -47.51 85.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.563 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.64 ' O ' HD23 ' A' ' 59' ' ' LEU . 0.9 OUTLIER -62.15 -26.33 68.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.553 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.3 t -71.33 -35.46 71.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.554 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -63.67 -31.88 73.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.515 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.426 ' O ' HG22 ' A' ' 66' ' ' ILE . 99.4 m -64.24 -37.81 88.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.601 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.471 ' N ' HD12 ' A' ' 63' ' ' LEU . 9.7 mp -75.19 -24.81 57.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.602 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -84.19 -36.7 22.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.56 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.438 ' O ' ' OE2' ' A' ' 69' ' ' GLU . 99.7 mtt180 -68.49 -44.49 74.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.54 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.426 HG22 ' O ' ' A' ' 62' ' ' CYS . 20.5 tt -76.44 -35.01 25.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.636 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.425 ' O ' ' CB ' ' A' ' 71' ' ' ASP . . . -61.09 -45.43 96.59 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -62.73 -34.29 76.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.79 0.329 . . . . 0.0 110.591 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.527 ' OE1' ' N ' ' A' ' 69' ' ' GLU . 0.3 OUTLIER -79.64 -58.46 3.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.574 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.18 -43.07 74.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.557 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.529 ' OD1' ' NE2' ' A' ' 77' ' ' GLN . 38.8 t70 -65.09 -8.67 17.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.633 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.9 t -96.44 7.07 47.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.615 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -93.0 111.47 23.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.576 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 78.8 mtm -68.31 -11.22 59.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.524 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -80.35 -67.26 0.78 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.607 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 7.5 tp -59.91 -40.24 88.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.52 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.529 ' NE2' ' OD1' ' A' ' 71' ' ' ASP . 15.7 mm100 -61.83 -37.9 86.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.532 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 75.2 ttt180 -68.52 -44.94 73.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.561 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.487 ' SD ' HG23 ' A' ' 182' ' ' THR . 73.9 mtp -54.48 -43.95 72.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.594 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.645 ' O ' HG12 ' A' ' 83' ' ' VAL . 81.4 mt -62.36 -23.78 33.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.538 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -85.88 -18.84 31.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.596 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -86.43 -15.41 40.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.59 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.876 ' O ' HG13 ' A' ' 83' ' ' VAL . 8.0 p -89.38 82.18 2.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.571 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.437 ' O ' ' O ' ' A' ' 83' ' ' VAL . 99.1 m-20 -40.05 162.51 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.561 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 77.5 p -119.72 119.31 33.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.603 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 60.9 m-20 -148.2 0.02 0.6 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.531 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.695 ' O ' HG12 ' A' ' 91' ' ' VAL . 45.4 t -176.11 88.92 0.28 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.464 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.48 ' O ' ' CB ' ' A' ' 92' ' ' PHE . 38.1 Cg_endo -69.62 -14.42 36.51 Favored 'Trans proline' 0 C--N 1.305 -1.762 0 C-N-CA 122.82 2.347 . . . . 0.0 112.13 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 33.8 ptt-85 -86.63 -34.83 19.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.564 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -79.15 -57.8 3.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.554 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.695 HG12 ' O ' ' A' ' 87' ' ' SER . 10.0 p -56.72 -51.35 67.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.556 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.661 ' N ' HG13 ' A' ' 91' ' ' VAL . 84.7 t80 -46.3 -52.04 13.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.543 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -68.14 -30.19 69.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.502 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.668 ' NE ' ' HE1' ' A' ' 188' ' ' TRP . 23.9 ttp180 -71.73 -57.65 4.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.471 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.622 HG23 ' N ' ' A' ' 96' ' ' ALA . 27.8 m -59.76 -48.09 88.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.554 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.622 ' N ' HG23 ' A' ' 95' ' ' VAL . . . -55.01 -27.75 46.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.569 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -81.82 -38.87 24.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.501 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 99' ' ' MET . 99.7 m-20 -63.19 -38.62 91.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.574 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' MET . . . . . 0.542 ' HB2' HH21 ' A' ' 109' ' ' ARG . 63.6 mtt -38.44 -68.89 0.14 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.559 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.605 ' CD2' ' O ' ' A' ' 100' ' ' PHE . 17.9 p90 -111.22 57.51 0.62 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.632 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.1 t -74.59 -26.85 60.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.595 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.53 ' O ' ' C ' ' A' ' 103' ' ' GLY . 55.1 p-10 -155.63 -18.34 0.11 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.569 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.53 ' C ' ' O ' ' A' ' 102' ' ' ASP . . . -26.4 -80.6 0.01 OUTLIER Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ASN . . . . . 0.606 ' O ' ' CG ' ' A' ' 105' ' ' PHE . 8.8 m-20 174.47 34.39 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.766 0.317 . . . . 0.0 110.579 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.606 ' CG ' ' O ' ' A' ' 104' ' ' ASN . 29.8 p90 42.69 29.0 0.14 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.5 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.518 ' O ' ' HB2' ' A' ' 107' ' ' TRP . 28.0 p30 -52.09 -110.52 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.593 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' TRP . . . . . 0.545 ' NE1' HG21 ' A' ' 110' ' ' VAL . 6.7 t90 174.7 -26.18 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.474 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.588 ' O ' HG12 ' A' ' 111' ' ' VAL . . . -50.19 -41.99 39.92 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.542 HH21 ' HB2' ' A' ' 99' ' ' MET . 0.0 OUTLIER -48.13 -26.22 1.78 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.772 0.32 . . . . 0.0 110.575 179.945 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.545 HG21 ' NE1' ' A' ' 107' ' ' TRP . 36.1 t -52.5 -57.85 3.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.544 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.588 HG12 ' O ' ' A' ' 108' ' ' GLY . 4.6 p -45.32 -46.72 3.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.511 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.579 ' N ' HG13 ' A' ' 111' ' ' VAL . . . -58.0 -35.34 71.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.563 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.67 ' O ' HD23 ' A' ' 113' ' ' LEU . 2.0 tt -56.65 -46.84 80.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.564 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.446 ' CZ ' ' CG1' ' A' ' 110' ' ' VAL . 9.8 m-85 -57.09 -44.18 82.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.549 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 93.3 t80 -67.99 -43.75 78.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.538 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.451 ' CE2' HG21 ' A' ' 95' ' ' VAL . 93.1 t80 -58.8 -42.03 88.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.573 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.513 ' O ' HG23 ' A' ' 121' ' ' VAL . . . -70.84 -32.66 69.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.504 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 4.7 t -48.48 -44.62 35.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.557 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.82 ' O ' ' CB ' ' A' ' 123' ' ' LYS . 30.4 mmtm -59.53 -43.72 93.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.493 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 52.8 mt -67.98 -31.62 71.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.57 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.736 HG13 HG23 ' A' ' 133' ' ' ILE . 49.2 t -76.77 -53.54 14.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.603 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.469 HD22 ' CB ' ' A' ' 35' ' ' ALA . 71.1 mt -72.91 -40.89 65.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.574 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.82 ' CB ' ' O ' ' A' ' 119' ' ' LYS . 88.7 tttt -58.07 -41.12 82.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.557 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -75.61 -22.12 57.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.594 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 54.2 tp -62.83 -32.41 73.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.523 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' CYS . . . . . 0.477 ' SG ' ' N ' ' A' ' 127' ' ' THR . 13.1 p -83.14 -35.45 25.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.594 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.748 ' O ' ' HB2' ' A' ' 128' ' ' LYS . 55.8 m -53.57 -18.76 3.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.516 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.748 ' HB2' ' O ' ' A' ' 127' ' ' THR . 42.2 mtmt 87.63 43.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.6 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 129' ' ' VAL . 17.6 m -147.28 90.97 5.18 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.61 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -72.66 -14.46 27.27 Favored 'Trans proline' 0 C--N 1.305 -1.717 0 C-N-CA 122.788 2.325 . . . . 0.0 112.004 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -65.06 -39.87 93.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.496 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 2.1 tp -62.23 -32.52 73.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.577 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.736 HG23 HG13 ' A' ' 121' ' ' VAL . 22.1 mm -58.8 -49.32 83.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.493 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 63.3 ttm-85 -69.57 -34.65 74.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.427 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 7.8 m -67.26 -31.77 72.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.52 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.419 HG21 ' CG2' ' A' ' 121' ' ' VAL . 45.5 mt -69.9 -58.67 4.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.524 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 65.2 ttp -46.64 -25.41 0.71 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.484 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -68.75 -40.47 85.25 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 139' ' ' TRP . . . . . 0.507 ' CD1' ' N ' ' A' ' 139' ' ' TRP . 12.6 m0 -66.3 -24.42 66.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.767 0.317 . . . . 0.0 110.564 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 140' ' ' THR . . . . . 0.468 ' OG1' ' N ' ' A' ' 141' ' ' LEU . 24.1 p -75.52 -65.81 0.85 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.574 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.468 ' N ' ' OG1' ' A' ' 140' ' ' THR . 57.3 mt -51.8 -33.58 36.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.594 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -65.69 -51.13 61.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.564 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 143' ' ' PHE . . . . . 0.438 ' O ' ' HB2' ' A' ' 147' ' ' ARG . 5.9 t80 -66.8 -38.89 87.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.586 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.56 HD12 ' HB2' ' A' ' 148' ' ' LEU . 1.8 tp -71.04 -35.55 72.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.557 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 59.2 ttp180 -83.06 -10.67 58.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.593 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -111.96 -4.7 14.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.577 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 147' ' ' ARG . . . . . 1.152 ' O ' ' N ' ' A' ' 149' ' ' LEU . 11.4 mtp180 -142.02 -110.84 0.13 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.588 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 148' ' ' LEU . . . . . 0.815 ' H ' HD22 ' A' ' 148' ' ' LEU . 1.0 OUTLIER -15.45 -27.72 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.504 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 149' ' ' LEU . . . . . 1.152 ' N ' ' O ' ' A' ' 147' ' ' ARG . 33.8 tp -49.13 -56.33 9.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.521 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -63.9 -50.68 59.32 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 151' ' ' TRP . . . . . . . . . . . . . 99.1 m95 -66.16 -55.94 13.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.859 0.361 . . . . 0.0 110.56 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 152' ' ' ILE . . . . . 0.696 ' N ' ' O ' ' A' ' 148' ' ' LEU . 10.5 tt -51.32 -34.36 14.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.546 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 12.3 tm0? -67.42 -31.18 71.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.619 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -89.11 -4.64 58.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.58 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -97.48 0.9 48.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.551 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 83.69 24.72 48.94 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 89.77 -160.34 28.72 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 158' ' ' TRP . . . . . 0.483 ' CD1' HD11 ' A' ' 152' ' ' ILE . 33.4 m95 -73.93 -5.69 42.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.767 0.318 . . . . 0.0 110.56 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -60.84 -42.44 97.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.606 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -54.36 -32.32 51.74 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.876 -0.89 . . . . 0.0 110.876 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 161' ' ' LEU . . . . . 0.586 ' O ' HD23 ' A' ' 161' ' ' LEU . 2.1 tt -62.87 -54.03 44.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.824 0.345 . . . . 0.0 110.579 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 49.1 tp -67.0 -31.14 71.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.581 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 5.2 t -66.63 -26.69 67.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.517 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 94.3 t80 -76.07 -42.86 46.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.631 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -71.62 47.89 0.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.617 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -130.65 38.9 1.87 Allowed Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 167' ' ' THR . . . . . 1.103 ' OG1' ' HD2' ' A' ' 168' ' ' PRO . 0.6 OUTLIER -108.53 -178.38 0.56 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 120.912 0.387 . . . . 0.0 110.569 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 168' ' ' PRO . . . . . 1.103 ' HD2' ' OG1' ' A' ' 167' ' ' THR . 57.2 Cg_endo -75.34 -147.01 0.03 OUTLIER 'Trans proline' 0 C--N 1.305 -1.759 0 C-N-CA 122.827 2.352 . . . . 0.0 112.082 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 169' ' ' THR . . . . . 0.602 ' C ' ' O ' ' A' ' 168' ' ' PRO . 20.1 p -21.35 100.23 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.552 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 170' ' ' TRP . . . . . 0.68 ' O ' HG22 ' A' ' 173' ' ' VAL . 34.0 p90 -64.18 -18.56 64.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.572 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 171' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.21 -14.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.556 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 172' ' ' THR . . . . . 0.519 ' O ' HG22 ' A' ' 175' ' ' ILE . 5.4 m -87.11 -29.56 21.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.5 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 173' ' ' VAL . . . . . 0.68 HG22 ' O ' ' A' ' 170' ' ' TRP . 1.9 m -72.07 -45.65 62.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.561 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 174' ' ' THR . . . . . 0.566 ' N ' ' CG2' ' A' ' 173' ' ' VAL . 24.9 m -64.56 -25.02 67.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.546 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 175' ' ' ILE . . . . . 0.519 HG22 ' O ' ' A' ' 172' ' ' THR . 1.7 tt -85.66 -7.59 10.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.575 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 176' ' ' PHE . . . . . 0.482 ' O ' HG12 ' A' ' 180' ' ' VAL . 63.8 t80 -94.61 -60.01 1.8 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.611 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 3.1 m -62.13 -16.75 16.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.536 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 178' ' ' ALA . . . . . 0.62 ' O ' ' OG1' ' A' ' 182' ' ' THR . . . -95.55 -45.91 6.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.578 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -62.27 -26.22 67.54 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 180' ' ' VAL . . . . . 0.7 HG13 ' N ' ' A' ' 181' ' ' LEU . 13.6 p -86.25 -51.72 12.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.829 0.347 . . . . 0.0 110.577 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 181' ' ' LEU . . . . . 0.7 ' N ' HG13 ' A' ' 180' ' ' VAL . 42.0 tp -69.31 -47.9 63.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.666 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 182' ' ' THR . . . . . 0.62 ' OG1' ' O ' ' A' ' 178' ' ' ALA . 26.1 m -50.54 -51.41 48.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.584 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -47.3 -45.71 24.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.602 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 184' ' ' SER . . . . . . . . . . . . . 27.4 t -54.5 -37.82 65.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.592 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 62.4 mt -77.65 -21.69 51.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.587 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 20.4 m -73.28 -44.89 58.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.53 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 187' ' ' ILE . . . . . 0.637 HG23 ' N ' ' A' ' 188' ' ' TRP . 12.4 tt -73.72 -51.57 24.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.57 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 188' ' ' TRP . . . . . 0.668 ' HE1' ' NE ' ' A' ' 94' ' ' ARG . 8.0 t90 -30.67 -56.91 0.21 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.594 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 7.5 mmtt -175.77 128.25 0.24 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.572 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 190' ' ' LYS . . . . . . . . . . . . . 14.6 ptmt -109.92 89.55 3.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.577 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 191' ' ' MET . . . . . . . . . . . . . 82.5 mtp -128.58 136.64 50.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.577 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.789 0 CA-C-O 117.989 -1.451 . . . . 0.0 110.913 -179.958 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 130' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 131' ' ' GLU . . . . . 0.763 ' O ' ' HB3' ' B' ' 132' ' ' ALA . 90.8 mt-10 -53.59 -94.75 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.485 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 132' ' ' ALA . . . . . 0.763 ' HB3' ' O ' ' B' ' 131' ' ' GLU . . . 94.38 -72.58 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.569 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 133' ' ' LEU . . . . . 0.482 HD12 ' N ' ' B' ' 133' ' ' LEU . 10.9 mp -55.62 -48.63 74.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.527 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 134' ' ' LYS . . . . . . . . . . . . . 15.1 tptp 45.42 37.55 3.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.555 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 135' ' ' LYS . . . . . . . . . . . . . 13.6 mtpp -63.06 -43.74 97.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.577 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 136' ' ' ALA . . . . . . . . . . . . . . . -75.01 89.69 2.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.543 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 137' ' ' LEU . . . . . 0.596 HD23 ' N ' ' B' ' 138' ' ' ARG . 3.6 tt -145.54 114.08 6.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.57 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 138' ' ' ARG . . . . . 0.596 ' N ' HD23 ' B' ' 137' ' ' LEU . 37.4 ttm180 69.48 -34.95 0.29 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.548 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 139' ' ' ARG . . . . . 0.545 ' H ' ' C ' ' B' ' 137' ' ' LEU . 15.7 tpp180 -59.44 -45.97 90.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.549 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 140' ' ' HIS . . . . . 0.789 ' O ' ' N ' ' B' ' 143' ' ' LEU . 73.2 m80 -77.61 -69.3 0.55 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.574 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 141' ' ' ARG . . . . . 0.487 ' C ' ' O ' ' B' ' 140' ' ' HIS . 34.8 ttm180 -30.89 -31.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.513 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 142' ' ' PHE . . . . . 0.652 ' N ' ' O ' ' B' ' 140' ' ' HIS . 19.2 m-85 -93.24 -28.04 16.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.52 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 143' ' ' LEU . . . . . 0.789 ' N ' ' O ' ' B' ' 140' ' ' HIS . 42.7 tp -60.88 -33.23 72.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.543 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 144' ' ' TRP . . . . . 0.47 ' O ' ' C ' ' B' ' 145' ' ' GLN . 73.3 t-105 -87.34 -54.83 4.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.449 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 145' ' ' GLN . . . . . 0.47 ' C ' ' O ' ' B' ' 144' ' ' TRP . 56.3 tt0 -34.04 -68.36 0.11 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.602 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 146' ' ' ARG . . . . . 0.704 ' O ' ' N ' ' B' ' 148' ' ' GLN . 35.6 ttm180 43.54 64.88 1.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.524 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 147' ' ' ARG . . . . . . . . . . . . . 79.0 ttt-85 41.73 -81.45 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.535 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 148' ' ' GLN . . . . . 0.704 ' N ' ' O ' ' B' ' 146' ' ' ARG . 16.7 pt20 -85.91 137.41 32.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.612 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 10.0 ptp85 -61.75 -14.71 34.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.539 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 150' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.504 0 CA-C-O 118.021 -0.99 . . . . 0.0 110.593 179.958 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.9 ptt? . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.508 ' OD1' ' N ' ' A' ' 3' ' ' GLY . 27.0 p-10 -60.02 -59.28 5.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.619 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.508 ' N ' ' OD1' ' A' ' 2' ' ' ASP . . . 79.38 -48.58 3.43 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.58 ' OG ' ' N ' ' A' ' 54' ' ' ALA . 0.4 OUTLIER -118.72 -37.13 3.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.751 0.31 . . . . 0.0 110.596 -179.901 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 148.31 177.47 22.65 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 1.053 ' O ' ' HB3' ' A' ' 7' ' ' GLN . 2.3 tp10 -130.97 101.7 5.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.791 0.329 . . . . 0.0 110.585 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 1.053 ' HB3' ' O ' ' A' ' 6' ' ' GLU . 0.5 OUTLIER 116.11 43.31 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.434 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.788 ' HD3' ' H ' ' A' ' 7' ' ' GLN . 37.1 Cg_endo -69.18 100.66 0.76 Allowed 'Trans proline' 0 C--N 1.305 -1.711 0 C-N-CA 122.895 2.396 . . . . 0.0 112.121 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 73.4 mtp180 -64.09 172.96 2.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.638 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.741 ' O ' ' HD3' ' A' ' 13' ' ' PRO . . . 155.52 12.63 0.05 OUTLIER Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.435 ' C ' ' O ' ' A' ' 10' ' ' GLY . . . -35.52 98.81 0.01 OUTLIER Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.071 -0.811 . . . . 0.0 111.071 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.568 ' N ' ' CD ' ' A' ' 13' ' ' PRO . . . 95.12 47.27 2.66 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.741 ' HD3' ' O ' ' A' ' 10' ' ' GLY . 45.3 Cg_endo -72.35 24.33 0.27 Allowed 'Trans proline' 0 C--N 1.305 -1.72 0 C-N-CA 122.842 2.361 . . . . 0.0 112.104 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.44 ' H ' ' C ' ' A' ' 12' ' ' GLY . 1.5 p -99.41 23.05 9.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.575 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 90.5 p -98.83 -173.3 2.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.561 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.8 m -89.79 -10.25 46.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.513 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -73.23 -44.91 58.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.615 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.604 HE22 ' CG2' ' A' ' 22' ' ' THR . 2.1 tm0? -73.01 -21.23 60.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.563 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.44 HG23 ' HE1' ' A' ' 158' ' ' TRP . 30.3 mt -83.38 -56.95 4.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.439 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.448 ' SD ' ' C ' ' A' ' 20' ' ' MET . 2.1 tmt? -51.38 -37.02 45.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.597 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -67.19 -46.41 74.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.571 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.604 ' CG2' HE22 ' A' ' 18' ' ' GLN . 41.7 p -72.01 -6.84 45.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.587 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -80.77 -53.92 3.84 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.29 -9.23 59.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.804 0.335 . . . . 0.0 110.537 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.592 ' C ' HD23 ' A' ' 25' ' ' LEU . 6.4 tt -86.67 -81.04 0.23 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.587 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.553 ' C ' ' O ' ' A' ' 25' ' ' LEU . 67.8 mt -26.36 -66.05 0.06 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.563 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.965 ' O ' HG13 ' A' ' 31' ' ' ILE . 3.8 tp -51.13 -58.08 7.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.512 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.641 ' HA ' HD12 ' A' ' 31' ' ' ILE . 7.3 tp-100 -47.25 -17.91 0.08 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.527 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.546 ' O ' ' N ' ' A' ' 31' ' ' ILE . . . -88.77 -72.86 1.28 Allowed Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -42.08 -18.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.803 0.335 . . . . 0.0 110.631 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.965 HG13 ' O ' ' A' ' 27' ' ' LEU . 57.6 mt -76.93 -69.35 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.552 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.751 ' CB ' HD12 ' A' ' 45' ' ' LEU . 10.4 tt0 -78.69 29.62 0.2 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.588 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.419 ' H ' ' C ' ' A' ' 31' ' ' ILE . 66.5 t0 -112.43 -51.52 2.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.599 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 -90.65 -27.5 18.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.516 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.464 ' CB ' HD22 ' A' ' 122' ' ' LEU . . . -98.08 -13.78 20.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.567 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.43 ' O ' ' O ' ' A' ' 32' ' ' GLN . . . -143.23 83.16 0.21 Allowed Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.41 -51.09 71.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.78 0.324 . . . . 0.0 110.563 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.419 ' CG ' ' H ' ' A' ' 39' ' ' GLY . 22.2 tpp -170.56 -135.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.521 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.419 ' H ' ' CG ' ' A' ' 38' ' ' MET . . . 85.56 -47.66 3.86 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.936 -0.865 . . . . 0.0 110.936 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 57.61 36.52 78.57 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.984 -0.847 . . . . 0.0 110.984 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -94.97 82.76 3.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.847 0.356 . . . . 0.0 110.669 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.522 ' N ' ' HD3' ' A' ' 43' ' ' PRO . . . 57.74 57.69 7.2 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.621 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.522 ' HD3' ' N ' ' A' ' 42' ' ' ALA . 50.2 Cg_exo -50.94 146.61 21.16 Favored 'Trans proline' 0 C--N 1.304 -1.771 0 C-N-CA 122.823 2.349 . . . . 0.0 112.079 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 56.3 mp0 -94.86 -13.92 25.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.533 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.751 HD12 ' CB ' ' A' ' 32' ' ' GLN . 45.1 mt -99.02 62.22 1.28 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.564 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.494 ' O ' ' HB2' ' A' ' 47' ' ' LEU . . . -71.65 136.92 47.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.619 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.494 ' HB2' ' O ' ' A' ' 46' ' ' ALA . 1.6 tp 175.37 32.47 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.566 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.439 ' C ' ' O ' ' A' ' 47' ' ' LEU . 2.1 m-20 37.26 65.55 2.46 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.568 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_endo -67.22 135.16 36.13 Favored 'Trans proline' 0 C--N 1.305 -1.733 0 C-N-CA 122.804 2.336 . . . . 0.0 112.17 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 1.008 HG23 ' HD2' ' A' ' 51' ' ' PRO . 14.1 p -137.65 152.15 72.17 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.582 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 1.008 ' HD2' HG23 ' A' ' 50' ' ' VAL . 32.9 Cg_endo -67.38 -19.36 49.57 Favored 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 122.761 2.307 . . . . 0.0 112.106 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.688 ' H ' HG22 ' A' ' 50' ' ' VAL . 56.7 tt0 36.05 -84.49 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.6 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.686 ' N ' ' O ' ' A' ' 51' ' ' PRO . 98.0 m-20 -139.02 166.2 25.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.621 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.58 ' N ' ' OG ' ' A' ' 4' ' ' SER . . . -83.26 -3.1 57.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.627 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 91.2 p -59.17 -39.58 82.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.551 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 17.9 p -81.72 -33.78 30.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.604 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 64.1 mmtt -50.27 -54.84 18.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.565 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 30.8 ttpt -59.84 -47.84 84.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.599 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.624 ' O ' HD23 ' A' ' 59' ' ' LEU . 0.8 OUTLIER -61.9 -26.35 68.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.548 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.5 t -71.28 -35.37 71.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.597 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -63.82 -31.74 73.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.616 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.433 ' O ' HG22 ' A' ' 66' ' ' ILE . 95.4 m -64.3 -37.88 89.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.569 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.488 ' N ' HD12 ' A' ' 63' ' ' LEU . 8.3 mp -75.24 -24.57 57.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.645 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -84.33 -36.67 22.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.502 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.437 ' O ' ' OE2' ' A' ' 69' ' ' GLU . 99.7 mtt180 -68.62 -44.4 74.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.551 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.433 HG22 ' O ' ' A' ' 62' ' ' CYS . 20.4 tt -76.54 -35.01 25.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.548 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.428 ' O ' ' CB ' ' A' ' 71' ' ' ASP . . . -61.03 -45.43 96.61 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -62.72 -34.26 76.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.717 0.294 . . . . 0.0 110.558 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.541 ' OE1' ' N ' ' A' ' 69' ' ' GLU . 0.3 OUTLIER -79.74 -58.48 3.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.487 -179.93 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.21 -43.05 74.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.518 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.428 ' CB ' ' O ' ' A' ' 67' ' ' GLY . 53.0 t0 -65.05 -8.69 17.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.589 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.7 t -96.45 7.06 47.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.567 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -92.97 111.5 23.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.54 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 3.9 mmt -68.38 -11.19 59.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.498 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -80.29 -67.34 0.78 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.553 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 7.1 tp -59.85 -40.25 87.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.608 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.608 HE22 ' NZ ' ' A' ' 119' ' ' LYS . 20.5 mm100 -61.73 -38.05 86.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.532 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 72.3 ttt180 -68.4 -44.98 73.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.573 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.492 ' SD ' HG23 ' A' ' 182' ' ' THR . 74.1 mtp -54.53 -43.95 72.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.549 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.646 ' O ' HG12 ' A' ' 83' ' ' VAL . 86.0 mt -62.31 -23.74 32.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.627 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -85.94 -18.71 31.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.55 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -86.45 -15.56 39.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.53 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.881 ' O ' HG13 ' A' ' 83' ' ' VAL . 7.6 p -89.38 83.05 2.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.63 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 53.8 p-10 -41.52 161.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.427 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 75.4 p -119.05 121.13 39.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.581 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -149.89 0.06 0.46 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.426 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.644 ' O ' HG12 ' A' ' 91' ' ' VAL . 35.4 t -175.88 85.63 0.29 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.477 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.51 ' O ' ' CB ' ' A' ' 92' ' ' PHE . 29.5 Cg_endo -66.14 -16.55 52.48 Favored 'Trans proline' 0 C--N 1.305 -1.727 0 C-N-CA 122.793 2.329 . . . . 0.0 112.07 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 34.4 ptt-85 -84.61 -36.74 21.83 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.464 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -76.68 -58.98 2.97 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.511 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.673 HG13 ' N ' ' A' ' 92' ' ' PHE . 10.3 p -55.79 -52.1 52.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.565 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.673 ' N ' HG13 ' A' ' 91' ' ' VAL . 85.2 t80 -45.38 -52.99 9.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.478 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -67.15 -30.85 70.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.509 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 16.1 tpp180 -71.1 -58.18 3.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.556 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.624 HG23 ' N ' ' A' ' 96' ' ' ALA . 27.9 m -59.17 -48.18 87.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.575 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.624 ' N ' HG23 ' A' ' 95' ' ' VAL . . . -54.92 -27.73 45.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.51 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -81.95 -38.86 24.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.558 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 99' ' ' MET . 99.8 m-20 -63.14 -38.65 92.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.572 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' MET . . . . . 0.526 ' HB2' HH21 ' A' ' 109' ' ' ARG . 64.1 mtt -38.24 -69.07 0.13 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.522 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.608 ' CD2' ' O ' ' A' ' 100' ' ' PHE . 17.3 p90 -111.2 57.67 0.62 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.585 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.3 t -74.74 -26.85 60.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.626 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.552 ' O ' ' C ' ' A' ' 103' ' ' GLY . 55.3 p-10 -155.6 -18.27 0.11 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.547 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.552 ' C ' ' O ' ' A' ' 102' ' ' ASP . . . -26.41 -80.68 0.01 OUTLIER Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ASN . . . . . 0.607 ' O ' ' CG ' ' A' ' 105' ' ' PHE . 8.3 m-20 174.55 34.35 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.831 0.348 . . . . 0.0 110.584 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.607 ' CG ' ' O ' ' A' ' 104' ' ' ASN . 27.8 p90 42.61 29.15 0.15 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.574 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.523 ' CG ' ' H ' ' A' ' 107' ' ' TRP . 28.7 p30 -52.11 -110.47 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.54 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' TRP . . . . . 0.535 ' NE1' HG21 ' A' ' 110' ' ' VAL . 6.5 t90 174.57 -26.19 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.522 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.591 ' O ' HG12 ' A' ' 111' ' ' VAL . . . -50.18 -42.02 39.92 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.526 HH21 ' HB2' ' A' ' 99' ' ' MET . 0.0 OUTLIER -48.16 -26.01 1.72 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.808 0.337 . . . . 0.0 110.534 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.535 HG21 ' NE1' ' A' ' 107' ' ' TRP . 33.8 t -52.67 -57.9 3.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.53 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.591 HG12 ' O ' ' A' ' 108' ' ' GLY . 4.7 p -45.25 -46.83 3.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.54 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.581 ' N ' HG13 ' A' ' 111' ' ' VAL . . . -58.12 -34.93 70.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.534 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.667 ' O ' HD23 ' A' ' 113' ' ' LEU . 1.9 tt -56.97 -46.62 82.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.558 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.44 ' CZ ' ' CG1' ' A' ' 110' ' ' VAL . 10.2 m-85 -57.41 -43.96 84.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.484 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 88.1 t80 -68.18 -43.39 78.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.528 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.446 ' CE2' HG21 ' A' ' 95' ' ' VAL . 92.5 t80 -59.12 -41.88 89.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.559 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.531 ' O ' HG23 ' A' ' 121' ' ' VAL . . . -71.09 -32.42 69.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.525 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 4.9 t -48.72 -44.03 37.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.534 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.819 ' O ' ' CB ' ' A' ' 123' ' ' LYS . 60.3 mmtt -60.25 -43.51 96.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.54 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 52.6 mt -68.26 -30.69 69.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.523 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.709 HG13 HG23 ' A' ' 133' ' ' ILE . 49.0 t -77.59 -53.54 14.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.538 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.464 HD22 ' CB ' ' A' ' 35' ' ' ALA . 69.3 mt -72.99 -40.69 65.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.558 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.819 ' CB ' ' O ' ' A' ' 119' ' ' LYS . 65.3 tttm -58.19 -40.93 82.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.595 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.429 ' O ' ' OG1' ' A' ' 127' ' ' THR . . . -76.28 -20.43 57.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.575 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.419 HD12 ' HA ' ' A' ' 125' ' ' LEU . 40.6 tp -64.62 -30.37 71.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.548 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 126' ' ' CYS . . . . . 0.499 ' SG ' ' N ' ' A' ' 127' ' ' THR . 6.3 p -84.71 -35.73 22.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.547 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.556 ' O ' ' CB ' ' A' ' 128' ' ' LYS . 40.3 p -54.64 -17.11 2.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.487 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.556 ' CB ' ' O ' ' A' ' 127' ' ' THR . 73.7 tttt 85.07 47.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.57 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.535 ' CG2' ' OG1' ' A' ' 127' ' ' THR . 0.2 OUTLIER -148.8 85.97 5.91 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.53 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 130' ' ' PRO . . . . . 0.404 ' HA ' HG12 ' A' ' 133' ' ' ILE . 35.1 Cg_endo -68.22 -15.73 43.11 Favored 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 122.85 2.366 . . . . 0.0 112.021 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -63.38 -42.49 98.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.469 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 8.6 mp -59.67 -34.23 72.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.492 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.709 HG23 HG13 ' A' ' 121' ' ' VAL . 21.2 mm -56.88 -50.23 76.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.518 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 -69.07 -34.9 75.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.483 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 8.2 m -67.14 -31.96 72.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.504 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.414 HG21 ' CG2' ' A' ' 121' ' ' VAL . 46.4 mt -69.68 -58.88 4.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.545 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 84.0 mtp -46.4 -25.65 0.69 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.532 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -68.57 -40.47 86.12 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 139' ' ' TRP . . . . . 0.512 ' CD1' ' N ' ' A' ' 139' ' ' TRP . 12.9 m0 -66.31 -24.5 66.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.844 0.355 . . . . 0.0 110.563 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 140' ' ' THR . . . . . 0.499 ' OG1' ' N ' ' A' ' 141' ' ' LEU . 16.1 p -75.48 -65.73 0.86 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.568 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.499 ' N ' ' OG1' ' A' ' 140' ' ' THR . 55.1 mt -51.88 -33.64 37.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.513 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -65.75 -50.98 62.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.58 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 143' ' ' PHE . . . . . 0.489 ' O ' ' HB2' ' A' ' 147' ' ' ARG . 37.1 t80 -66.92 -38.84 86.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.549 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.511 ' HA ' HD23 ' A' ' 148' ' ' LEU . 0.4 OUTLIER -71.04 -35.54 72.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.555 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 59.0 ttp180 -82.98 -10.68 58.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.561 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -112.07 -4.6 14.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.58 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 147' ' ' ARG . . . . . 1.154 ' O ' ' N ' ' A' ' 149' ' ' LEU . 8.0 mtp180 -142.18 -110.89 0.13 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.64 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 148' ' ' LEU . . . . . 0.845 ' H ' HD22 ' A' ' 148' ' ' LEU . 1.0 OUTLIER -15.35 -27.75 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.542 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 149' ' ' LEU . . . . . 1.154 ' N ' ' O ' ' A' ' 147' ' ' ARG . 40.2 tp -49.2 -56.3 9.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.529 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -63.83 -50.63 59.82 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 151' ' ' TRP . . . . . . . . . . . . . 99.5 m95 -66.24 -55.91 13.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.819 0.342 . . . . 0.0 110.578 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 152' ' ' ILE . . . . . 0.698 ' N ' ' O ' ' A' ' 148' ' ' LEU . 9.1 tt -51.28 -34.29 14.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.494 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 56.8 tt0 -67.53 -31.12 71.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.537 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -89.23 -4.57 58.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.57 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -97.49 0.74 48.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.58 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 83.75 24.57 49.21 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 89.9 -160.4 28.61 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 158' ' ' TRP . . . . . 0.44 ' HE1' HG23 ' A' ' 19' ' ' ILE . 58.5 m95 -73.87 -5.65 42.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.76 0.314 . . . . 0.0 110.52 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -60.88 -42.5 98.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.544 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -54.49 -31.99 52.35 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 161' ' ' LEU . . . . . 0.588 ' O ' HD23 ' A' ' 161' ' ' LEU . 2.0 tt -63.04 -53.97 45.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.847 0.356 . . . . 0.0 110.546 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 52.3 tp -67.26 -30.96 70.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.487 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 21.3 t -66.99 -25.91 66.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.602 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 91.8 t80 -77.05 -42.45 38.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.627 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -71.65 48.28 0.15 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.502 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -131.53 39.61 1.75 Allowed Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 167' ' ' THR . . . . . 0.957 ' OG1' ' HD2' ' A' ' 168' ' ' PRO . 0.6 OUTLIER -108.91 177.88 1.16 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 120.86 0.362 . . . . 0.0 110.602 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 168' ' ' PRO . . . . . 0.957 ' HD2' ' OG1' ' A' ' 167' ' ' THR . 38.6 Cg_endo -70.31 -145.08 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.738 0 C-N-CA 122.815 2.343 . . . . 0.0 112.066 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 169' ' ' THR . . . . . 0.58 ' C ' ' O ' ' A' ' 168' ' ' PRO . 19.1 p -24.47 103.0 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.57 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 170' ' ' TRP . . . . . 0.691 ' O ' HG22 ' A' ' 173' ' ' VAL . 33.5 p90 -65.88 -18.45 65.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.594 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 171' ' ' GLN . . . . . 0.418 ' O ' HD12 ' A' ' 175' ' ' ILE . 0.0 OUTLIER -47.2 -14.41 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.498 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 172' ' ' THR . . . . . 0.468 ' N ' ' O ' ' A' ' 170' ' ' TRP . 4.9 m -86.64 -29.5 22.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.595 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 173' ' ' VAL . . . . . 0.691 HG22 ' O ' ' A' ' 170' ' ' TRP . 2.0 m -72.12 -45.66 61.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.58 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 174' ' ' THR . . . . . 0.564 ' N ' ' CG2' ' A' ' 173' ' ' VAL . 25.1 m -64.59 -24.89 67.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.578 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 175' ' ' ILE . . . . . 0.555 HG22 ' O ' ' A' ' 175' ' ' ILE . 89.3 mt -85.84 -7.41 10.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.537 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 176' ' ' PHE . . . . . 0.484 ' O ' HG12 ' A' ' 180' ' ' VAL . 64.1 t80 -94.72 -60.02 1.79 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.549 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 3.2 m -62.13 -16.7 16.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.532 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 178' ' ' ALA . . . . . 0.625 ' O ' ' OG1' ' A' ' 182' ' ' THR . . . -95.58 -45.9 6.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.546 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -62.34 -26.09 67.53 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 180' ' ' VAL . . . . . 0.697 HG13 ' N ' ' A' ' 181' ' ' LEU . 13.6 p -86.24 -51.79 12.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.756 0.312 . . . . 0.0 110.554 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 181' ' ' LEU . . . . . 0.697 ' N ' HG13 ' A' ' 180' ' ' VAL . 43.4 tp -69.27 -47.95 63.14 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.598 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 182' ' ' THR . . . . . 0.625 ' OG1' ' O ' ' A' ' 178' ' ' ALA . 25.3 m -50.55 -51.31 49.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.592 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -47.39 -45.74 25.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.58 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 184' ' ' SER . . . . . . . . . . . . . 27.8 t -54.38 -37.9 65.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.617 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 62.9 mt -77.62 -21.66 51.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.589 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 21.7 m -73.31 -44.82 58.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.598 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 187' ' ' ILE . . . . . 0.636 HG23 ' N ' ' A' ' 188' ' ' TRP . 12.3 tt -73.67 -51.66 24.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.605 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 188' ' ' TRP . . . . . 0.636 ' N ' HG23 ' A' ' 187' ' ' ILE . 0.1 OUTLIER -30.67 -56.99 0.21 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.619 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 8.2 mmtt -175.72 128.37 0.24 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.543 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 190' ' ' LYS . . . . . . . . . . . . . 14.7 ptmt -109.97 89.52 3.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.539 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 191' ' ' MET . . . . . . . . . . . . . 84.6 mtp -128.58 136.61 50.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.524 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.707 0 CA-C-O 117.987 -1.452 . . . . 0.0 110.926 179.972 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 130' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 131' ' ' GLU . . . . . 0.762 ' O ' ' HB3' ' B' ' 132' ' ' ALA . 90.8 mt-10 -53.6 -94.74 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.48 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 132' ' ' ALA . . . . . 0.762 ' HB3' ' O ' ' B' ' 131' ' ' GLU . . . 94.38 -72.58 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.569 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 133' ' ' LEU . . . . . 0.483 HD12 ' N ' ' B' ' 133' ' ' LEU . 10.9 mp -55.61 -48.7 74.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.491 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 134' ' ' LYS . . . . . . . . . . . . . 15.1 tptp 45.45 37.56 3.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.569 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 135' ' ' LYS . . . . . . . . . . . . . 13.7 mtpp -63.06 -43.75 97.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.61 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 136' ' ' ALA . . . . . . . . . . . . . . . -74.99 89.75 2.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.56 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 137' ' ' LEU . . . . . 0.596 HD23 ' N ' ' B' ' 138' ' ' ARG . 3.6 tt -145.58 114.08 6.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.548 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 138' ' ' ARG . . . . . 0.596 ' N ' HD23 ' B' ' 137' ' ' LEU . 37.4 ttm180 69.48 -35.02 0.3 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.559 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 139' ' ' ARG . . . . . 0.544 ' H ' ' C ' ' B' ' 137' ' ' LEU . 15.7 tpp180 -59.38 -46.06 89.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.528 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 140' ' ' HIS . . . . . 0.789 ' O ' ' N ' ' B' ' 143' ' ' LEU . 73.1 m80 -77.59 -69.33 0.55 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.577 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 141' ' ' ARG . . . . . 0.488 ' C ' ' O ' ' B' ' 140' ' ' HIS . 34.8 ttm180 -30.82 -31.37 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.541 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 142' ' ' PHE . . . . . 0.653 ' N ' ' O ' ' B' ' 140' ' ' HIS . 19.3 m-85 -93.24 -28.04 16.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.538 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 143' ' ' LEU . . . . . 0.789 ' N ' ' O ' ' B' ' 140' ' ' HIS . 42.4 tp -60.89 -33.29 72.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.52 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 144' ' ' TRP . . . . . 0.47 ' O ' ' C ' ' B' ' 145' ' ' GLN . 73.3 t-105 -87.32 -54.78 4.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.53 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 145' ' ' GLN . . . . . 0.47 ' C ' ' O ' ' B' ' 144' ' ' TRP . 56.2 tt0 -34.05 -68.33 0.11 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.627 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 146' ' ' ARG . . . . . 0.704 ' O ' ' N ' ' B' ' 148' ' ' GLN . 35.6 ttm180 43.46 64.88 1.1 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.56 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 147' ' ' ARG . . . . . . . . . . . . . 78.9 ttt-85 41.7 -81.36 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.617 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 148' ' ' GLN . . . . . 0.704 ' N ' ' O ' ' B' ' 146' ' ' ARG . 16.7 pt20 -85.94 137.34 32.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.656 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 10.0 ptp85 -61.71 -14.74 34.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.519 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 150' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 118.033 -0.985 . . . . 0.0 110.563 179.995 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.0 ptt? . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.666 ' OD1' ' N ' ' A' ' 3' ' ' GLY . 41.3 p-10 -63.02 -57.58 10.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.602 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.666 ' N ' ' OD1' ' A' ' 2' ' ' ASP . . . 79.92 -53.39 4.34 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 69.9 m -137.46 -28.97 0.89 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.826 0.346 . . . . 0.0 110.509 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 146.15 170.17 14.6 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 1.059 ' O ' ' HB3' ' A' ' 7' ' ' GLN . 5.0 tp10 -122.01 110.57 15.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.787 0.327 . . . . 0.0 110.407 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 1.059 ' HB3' ' O ' ' A' ' 6' ' ' GLU . 11.1 tt0 102.27 31.28 0.0 OUTLIER Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.281 -179.789 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.815 ' CD ' ' N ' ' A' ' 7' ' ' GLN . 48.6 Cg_endo -72.25 120.51 6.83 Favored 'Trans proline' 0 C--N 1.305 -1.724 0 C-N-CA 122.93 2.42 . . . . 0.0 112.112 -179.853 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 53.0 mtp180 -104.36 130.84 52.2 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.549 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.694 ' C ' ' H ' ' A' ' 12' ' ' GLY . . . -158.27 128.52 2.1 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -58.07 11.73 0.02 OUTLIER Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.694 ' H ' ' C ' ' A' ' 10' ' ' GLY . . . -106.78 100.14 1.55 Allowed Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.645 ' O ' ' N ' ' A' ' 15' ' ' SER . 65.3 Cg_exo -45.76 -72.33 0.05 OUTLIER 'Trans proline' 0 C--N 1.305 -1.752 0 C-N-CA 122.76 2.307 . . . . 0.0 112.064 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.539 ' C ' ' O ' ' A' ' 13' ' ' PRO . 29.7 p -27.16 86.85 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.55 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.966 ' O ' HD12 ' A' ' 19' ' ' ILE . 4.2 p -136.57 -157.33 0.77 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.517 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 45.9 m -96.3 -10.95 26.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.578 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -88.43 -49.56 6.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.588 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -65.78 -23.69 66.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.582 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.966 HD12 ' O ' ' A' ' 15' ' ' SER . 84.6 mt -81.35 -54.79 9.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.625 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.451 ' SD ' ' C ' ' A' ' 20' ' ' MET . 13.4 tmm? -53.58 -36.61 62.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.614 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.3 tppt? -67.19 -46.37 74.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.586 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.455 HG22 ' O ' ' A' ' 22' ' ' THR . 40.5 m -72.05 -8.07 52.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.557 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -79.45 -53.93 4.19 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.44 -9.25 59.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.818 0.342 . . . . 0.0 110.491 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.598 ' C ' HD23 ' A' ' 25' ' ' LEU . 6.6 tt -86.63 -80.92 0.23 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.538 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.553 ' C ' ' O ' ' A' ' 25' ' ' LEU . 48.6 tp -26.57 -66.07 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.567 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.423 ' C ' ' N ' ' A' ' 29' ' ' GLY . 5.7 tp -51.04 -57.99 7.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.618 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.454 ' HA ' HD12 ' A' ' 31' ' ' ILE . 9.5 tm0? -47.35 -17.9 0.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.544 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.542 ' O ' ' N ' ' A' ' 31' ' ' ILE . . . -88.83 -72.87 1.28 Allowed Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.876 -0.889 . . . . 0.0 110.876 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -42.08 -18.8 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.795 0.331 . . . . 0.0 110.573 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.542 ' N ' ' O ' ' A' ' 29' ' ' GLY . 96.9 mt -77.04 -69.15 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.609 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.411 ' CD ' ' O ' ' A' ' 32' ' ' GLN . 4.9 pp0? -78.88 29.95 0.2 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.584 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.417 ' H ' ' C ' ' A' ' 31' ' ' ILE . 65.3 t0 -112.89 -51.11 2.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.554 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -91.23 -27.03 18.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.548 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.546 ' O ' ' N ' ' A' ' 37' ' ' ARG . . . -99.0 -13.14 20.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.598 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 35' ' ' ALA . . . -38.5 90.95 0.01 OUTLIER Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.546 ' N ' ' O ' ' A' ' 35' ' ' ALA . 75.4 ttt180 -68.61 -40.44 80.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.754 0.311 . . . . 0.0 110.532 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 94.8 mtp 52.69 43.0 31.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.629 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -85.57 -161.16 34.31 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -64.15 -47.61 83.46 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -66.59 150.59 48.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.889 0.376 . . . . 0.0 110.568 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.53 152.47 92.38 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.574 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -49.59 147.33 13.32 Favored 'Trans proline' 0 C--N 1.306 -1.703 0 C-N-CA 122.806 2.337 . . . . 0.0 112.115 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.422 ' OE1' ' N ' ' A' ' 44' ' ' GLU . 54.4 mp0 -94.1 -11.78 29.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.606 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.532 HD12 ' CG2' ' A' ' 31' ' ' ILE . 0.7 OUTLIER -98.31 61.7 1.45 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.58 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.43 ' O ' ' HB2' ' A' ' 47' ' ' LEU . . . -70.32 138.08 51.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.578 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.476 ' O ' ' C ' ' A' ' 48' ' ' ASP . 22.6 tp 177.31 75.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.556 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.476 ' C ' ' O ' ' A' ' 47' ' ' LEU . 15.5 m-20 34.34 78.25 0.34 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.501 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_endo -64.53 101.96 0.39 Allowed 'Trans proline' 0 C--N 1.305 -1.738 0 C-N-CA 122.819 2.346 . . . . 0.0 112.043 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.707 HG22 ' O ' ' A' ' 50' ' ' VAL . 7.7 p -169.77 53.1 0.21 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.478 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.551 ' O ' ' HG3' ' A' ' 52' ' ' GLN . 76.3 Cg_exo -44.17 153.13 0.34 Allowed 'Trans proline' 0 C--N 1.304 -1.767 0 C-N-CA 122.849 2.366 . . . . 0.0 112.148 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.551 ' HG3' ' O ' ' A' ' 51' ' ' PRO . 75.2 mt-30 -159.8 166.31 30.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.522 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.411 ' O ' ' O ' ' A' ' 52' ' ' GLN . 95.9 m-20 60.95 128.32 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.638 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -82.61 -0.66 48.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.574 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 40.9 t -60.68 -39.41 88.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.561 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 27.7 p -82.78 -33.79 27.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.577 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 56.6 tttp -49.9 -54.98 16.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.572 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 6.0 tppt? -59.61 -48.16 82.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.63 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.637 ' O ' HD23 ' A' ' 59' ' ' LEU . 0.9 OUTLIER -61.57 -26.25 67.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.608 179.936 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.6 t -71.41 -35.36 70.97 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.6 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -63.94 -31.66 72.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.629 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 93.8 m -64.28 -37.81 88.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.595 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.472 ' N ' HD12 ' A' ' 63' ' ' LEU . 9.0 mp -75.33 -24.62 57.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.552 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 63.2 tttp -84.27 -36.67 22.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.585 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.453 ' O ' ' OE1' ' A' ' 69' ' ' GLU . 95.0 mtt180 -68.53 -44.42 74.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.57 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 18.9 tt -76.5 -35.12 25.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.545 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.424 ' O ' ' CB ' ' A' ' 71' ' ' ASP . . . -60.93 -45.41 96.61 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.444 ' OD1' ' O ' ' A' ' 68' ' ' ASP . 68.2 t0 -62.73 -34.36 77.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.792 0.329 . . . . 0.0 110.592 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.543 ' OE1' ' N ' ' A' ' 69' ' ' GLU . 3.0 mp0 -79.57 -58.55 3.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.567 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 2.1 mt -55.1 -43.07 73.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.632 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.424 ' CB ' ' O ' ' A' ' 67' ' ' GLY . 38.9 t70 -65.03 -8.73 17.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.58 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.4 t -96.45 7.07 47.41 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.532 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -93.0 111.54 23.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.617 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 97.8 mmm -68.44 -11.09 59.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.523 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -80.43 -67.21 0.79 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.558 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 49.5 tp -59.87 -40.26 88.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.576 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 11.1 tm0? -61.74 -37.97 86.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.613 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 71.7 ttt180 -68.44 -44.94 73.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.582 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.484 ' SD ' HG23 ' A' ' 182' ' ' THR . 74.3 mtp -54.59 -43.93 72.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.525 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.646 ' O ' HG12 ' A' ' 83' ' ' VAL . 84.6 mt -62.34 -23.73 32.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.648 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -85.97 -18.77 31.69 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.572 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -86.44 -15.23 40.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.63 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.867 ' O ' HG13 ' A' ' 83' ' ' VAL . 7.9 p -89.64 82.76 2.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.62 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.404 ' O ' ' O ' ' A' ' 83' ' ' VAL . 53.9 p-10 -40.97 162.09 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.607 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 70.0 p -119.26 120.5 37.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.598 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -149.3 -0.18 0.49 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.537 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.669 ' O ' HG12 ' A' ' 91' ' ' VAL . 44.5 t -175.68 86.86 0.29 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.512 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.6 ' O ' ' HB2' ' A' ' 92' ' ' PHE . 33.3 Cg_endo -67.38 -16.23 47.37 Favored 'Trans proline' 0 C--N 1.305 -1.734 0 C-N-CA 122.782 2.321 . . . . 0.0 112.028 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 21.0 ptt180 -85.53 -35.33 21.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.449 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -77.91 -57.88 3.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.5 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.669 HG12 ' O ' ' A' ' 87' ' ' SER . 10.0 p -57.3 -51.24 71.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.509 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.655 ' N ' HG13 ' A' ' 91' ' ' VAL . 26.3 t80 -45.93 -52.52 11.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.55 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -67.62 -30.66 70.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.516 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 16.2 tpp180 -71.18 -58.12 3.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.541 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.626 HG23 ' N ' ' A' ' 96' ' ' ALA . 27.2 m -59.29 -48.04 88.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.564 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.626 ' N ' HG23 ' A' ' 95' ' ' VAL . . . -54.99 -27.8 46.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.562 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -81.79 -38.93 24.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.575 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.41 ' O ' ' C ' ' A' ' 99' ' ' MET . 99.2 m-20 -63.22 -38.74 92.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.447 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' MET . . . . . 0.41 ' C ' ' O ' ' A' ' 98' ' ' ASP . 64.8 mtt -38.37 -68.84 0.14 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.527 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.579 ' CE1' ' NH2' ' A' ' 109' ' ' ARG . 14.3 p90 -111.3 57.53 0.63 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.598 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.1 t -74.65 -26.84 60.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.585 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.538 ' O ' ' C ' ' A' ' 103' ' ' GLY . 54.9 p-10 -155.58 -18.38 0.11 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.589 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.538 ' C ' ' O ' ' A' ' 102' ' ' ASP . . . -26.34 -80.71 0.01 OUTLIER Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ASN . . . . . 0.608 ' O ' ' CG ' ' A' ' 105' ' ' PHE . 9.3 m-20 174.5 34.37 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.791 0.329 . . . . 0.0 110.604 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.608 ' CG ' ' O ' ' A' ' 104' ' ' ASN . 32.3 p90 42.62 29.23 0.15 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.509 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.521 ' O ' ' HB2' ' A' ' 107' ' ' TRP . 27.8 p30 -52.23 -110.41 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.606 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' TRP . . . . . 0.547 ' NE1' HG21 ' A' ' 110' ' ' VAL . 6.8 t90 174.58 -26.19 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.543 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.592 ' O ' HG12 ' A' ' 111' ' ' VAL . . . -50.01 -42.34 39.05 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.579 ' NH2' ' CE1' ' A' ' 100' ' ' PHE . 0.0 OUTLIER -48.01 -26.09 1.65 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.888 0.375 . . . . 0.0 110.607 -179.946 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.547 HG21 ' NE1' ' A' ' 107' ' ' TRP . 29.1 t -52.49 -57.96 3.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.539 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.592 HG12 ' O ' ' A' ' 108' ' ' GLY . 4.8 p -45.31 -46.75 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.509 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.583 ' N ' HG13 ' A' ' 111' ' ' VAL . . . -58.23 -34.71 70.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.56 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.669 ' O ' HD23 ' A' ' 113' ' ' LEU . 2.0 tt -57.07 -46.8 82.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.576 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -57.32 -44.04 83.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.46 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 91.9 t80 -67.87 -43.58 79.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.577 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.441 ' CE2' HG21 ' A' ' 95' ' ' VAL . 91.8 t80 -59.14 -41.76 89.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.564 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.527 ' O ' HG23 ' A' ' 121' ' ' VAL . . . -71.05 -32.52 69.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.529 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 4.9 t -48.62 -44.19 37.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.581 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.812 ' O ' ' CB ' ' A' ' 123' ' ' LYS . 55.0 mmtt -59.95 -43.58 94.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.616 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 50.8 mt -68.23 -31.01 70.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.512 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.716 HG13 HG23 ' A' ' 133' ' ' ILE . 48.9 t -77.45 -53.42 14.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.488 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.47 HD22 ' CB ' ' A' ' 35' ' ' ALA . 70.5 mt -72.76 -41.1 65.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.567 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.812 ' CB ' ' O ' ' A' ' 119' ' ' LYS . 46.1 tptt -58.06 -41.4 83.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.521 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.502 ' O ' ' OG1' ' A' ' 127' ' ' THR . . . -75.26 -21.78 58.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.499 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 49.0 tp -63.4 -32.09 73.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.56 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' CYS . . . . . 0.53 ' SG ' ' O ' ' A' ' 123' ' ' LYS . 0.1 OUTLIER -83.37 -35.58 25.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.594 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.742 ' O ' ' HB2' ' A' ' 128' ' ' LYS . 45.4 p -53.72 -19.42 4.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.533 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.742 ' HB2' ' O ' ' A' ' 127' ' ' THR . 51.8 mttp 87.72 45.37 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.538 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.558 ' CG2' ' OG1' ' A' ' 127' ' ' THR . 0.0 OUTLIER -148.22 87.92 5.58 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.511 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 130' ' ' PRO . . . . . 0.405 ' HA ' HG12 ' A' ' 133' ' ' ILE . 37.9 Cg_endo -69.81 -14.6 36.15 Favored 'Trans proline' 0 C--N 1.306 -1.707 0 C-N-CA 122.719 2.279 . . . . 0.0 112.043 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -64.17 -41.77 96.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.421 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 8.5 mp -60.42 -34.37 73.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.447 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.716 HG23 HG13 ' A' ' 121' ' ' VAL . 21.9 mm -56.63 -50.21 74.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.55 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 84.2 mtp180 -69.09 -34.89 75.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.522 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 7.9 m -67.15 -32.01 72.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.449 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.419 HG21 ' CG2' ' A' ' 121' ' ' VAL . 46.8 mt -69.78 -58.87 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.465 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 42.1 ttm -46.45 -25.41 0.66 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.534 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -68.75 -40.43 85.3 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 139' ' ' TRP . . . . . 0.505 ' CD1' ' N ' ' A' ' 139' ' ' TRP . 12.7 m0 -66.37 -24.45 66.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.813 0.339 . . . . 0.0 110.531 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 140' ' ' THR . . . . . 0.469 ' OG1' ' N ' ' A' ' 141' ' ' LEU . 23.2 p -75.53 -65.84 0.85 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.56 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.469 ' N ' ' OG1' ' A' ' 140' ' ' THR . 52.5 mt -51.74 -33.64 35.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.594 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -65.69 -51.05 62.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.607 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -66.8 -38.85 87.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.57 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.572 HD12 ' HB2' ' A' ' 148' ' ' LEU . 2.0 tp -71.18 -35.43 71.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.552 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 58.9 ttp180 -82.98 -10.69 58.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.561 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -112.07 -4.63 14.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.548 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 147' ' ' ARG . . . . . 1.153 ' O ' ' N ' ' A' ' 149' ' ' LEU . 42.7 mtp180 -142.14 -110.8 0.13 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.535 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 148' ' ' LEU . . . . . 0.797 ' H ' HD22 ' A' ' 148' ' ' LEU . 1.0 OUTLIER -15.52 -27.68 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.602 -179.953 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 149' ' ' LEU . . . . . 1.153 ' N ' ' O ' ' A' ' 147' ' ' ARG . 47.1 tp -49.03 -56.4 9.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.565 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -63.8 -50.75 59.1 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 151' ' ' TRP . . . . . . . . . . . . . 59.7 m95 -66.2 -55.85 14.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.758 0.313 . . . . 0.0 110.548 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 152' ' ' ILE . . . . . 0.695 ' N ' ' O ' ' A' ' 148' ' ' LEU . 10.7 tt -51.37 -34.27 14.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.564 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 46.2 tt0 -67.51 -31.16 71.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.609 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -89.2 -4.44 58.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.538 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -97.57 0.83 48.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.586 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 83.67 24.72 49.01 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 89.82 -160.32 28.65 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 158' ' ' TRP . . . . . 0.408 ' NE1' HD11 ' A' ' 152' ' ' ILE . 53.8 m95 -73.98 -5.64 42.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.795 0.331 . . . . 0.0 110.569 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -60.88 -42.5 98.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.532 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -54.39 -32.16 51.83 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 161' ' ' LEU . . . . . 0.605 ' O ' HD23 ' A' ' 161' ' ' LEU . 2.6 tt -63.02 -53.94 46.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.804 0.335 . . . . 0.0 110.587 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 56.6 tp -67.09 -31.07 71.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.575 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 5.1 t -66.87 -26.2 66.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.496 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 89.9 t80 -76.7 -42.65 40.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.589 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -71.63 48.05 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.559 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -130.96 39.03 1.84 Allowed Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 167' ' ' THR . . . . . 0.998 ' OG1' ' HD2' ' A' ' 168' ' ' PRO . 0.5 OUTLIER -108.39 179.24 0.89 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 120.899 0.38 . . . . 0.0 110.521 -179.938 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 168' ' ' PRO . . . . . 0.998 ' HD2' ' OG1' ' A' ' 167' ' ' THR . 46.5 Cg_endo -72.29 -145.73 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.719 0 C-N-CA 122.781 2.32 . . . . 0.0 112.054 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 169' ' ' THR . . . . . 0.588 ' C ' ' O ' ' A' ' 168' ' ' PRO . 25.7 p -23.38 101.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.605 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 170' ' ' TRP . . . . . 0.683 ' O ' HG22 ' A' ' 173' ' ' VAL . 29.0 p90 -64.9 -18.78 65.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.596 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 171' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -46.83 -14.11 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.582 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 172' ' ' THR . . . . . 0.518 ' O ' HG22 ' A' ' 175' ' ' ILE . 97.9 m -87.03 -29.62 21.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.617 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 173' ' ' VAL . . . . . 0.683 HG22 ' O ' ' A' ' 170' ' ' TRP . 2.0 m -72.07 -45.61 62.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.567 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 174' ' ' THR . . . . . 0.567 ' N ' ' CG2' ' A' ' 173' ' ' VAL . 24.4 m -64.57 -24.91 67.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.576 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 175' ' ' ILE . . . . . 0.518 HG22 ' O ' ' A' ' 172' ' ' THR . 1.8 tt -85.8 -7.42 10.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.536 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 176' ' ' PHE . . . . . 0.489 ' O ' HG12 ' A' ' 180' ' ' VAL . 62.9 t80 -94.68 -60.13 1.77 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.568 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 3.3 m -62.05 -16.73 16.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.576 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 178' ' ' ALA . . . . . 0.618 ' O ' ' OG1' ' A' ' 182' ' ' THR . . . -95.55 -45.9 6.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.614 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -62.39 -26.06 67.57 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 180' ' ' VAL . . . . . 0.7 HG13 ' N ' ' A' ' 181' ' ' LEU . 13.9 p -86.31 -51.73 12.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.811 0.338 . . . . 0.0 110.556 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 181' ' ' LEU . . . . . 0.7 ' N ' HG13 ' A' ' 180' ' ' VAL . 43.1 tp -69.32 -47.94 62.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.569 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 182' ' ' THR . . . . . 0.618 ' OG1' ' O ' ' A' ' 178' ' ' ALA . 26.1 m -50.58 -51.33 49.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.572 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -47.38 -45.72 25.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.574 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 184' ' ' SER . . . . . . . . . . . . . 27.5 t -54.4 -37.85 65.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.644 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 64.5 mt -77.7 -21.69 51.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.527 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 21.3 m -73.26 -44.86 58.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.567 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 187' ' ' ILE . . . . . 0.636 HG23 ' N ' ' A' ' 188' ' ' TRP . 12.5 tt -73.63 -51.7 23.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.572 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 188' ' ' TRP . . . . . 0.636 ' N ' HG23 ' A' ' 187' ' ' ILE . 0.2 OUTLIER -30.74 -56.99 0.21 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.472 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 8.0 mmtt -175.72 128.28 0.24 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.551 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 190' ' ' LYS . . . . . . . . . . . . . 14.5 ptmt -109.87 89.61 3.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.598 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 191' ' ' MET . . . . . . . . . . . . . 84.1 mtp -128.71 136.58 50.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.547 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.813 0 CA-C-O 118.007 -1.441 . . . . 0.0 110.922 -179.969 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 130' ' ' CYS . . . . . . . . . . . . . 13.3 p . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 131' ' ' GLU . . . . . 0.797 ' O ' ' N ' ' B' ' 133' ' ' LEU . 55.8 mm-40 -66.76 167.45 11.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.534 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 132' ' ' ALA . . . . . 0.546 ' C ' ' O ' ' B' ' 131' ' ' GLU . . . 27.46 28.33 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.583 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 133' ' ' LEU . . . . . 0.797 ' N ' ' O ' ' B' ' 131' ' ' GLU . 5.3 tp 53.17 -127.1 2.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.573 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 134' ' ' LYS . . . . . . . . . . . . . 69.1 mmtt -99.12 -4.61 31.86 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.59 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 135' ' ' LYS . . . . . 0.517 ' O ' ' HB3' ' B' ' 136' ' ' ALA . 62.8 mttp -69.1 -45.58 69.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.52 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 136' ' ' ALA . . . . . 0.517 ' HB3' ' O ' ' B' ' 135' ' ' LYS . . . 70.03 -147.6 0.09 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.493 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 137' ' ' LEU . . . . . 0.586 HD12 ' N ' ' B' ' 137' ' ' LEU . 10.2 mp -86.95 123.49 32.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.572 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 138' ' ' ARG . . . . . . . . . . . . . 87.4 mtm180 -93.52 -8.81 40.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.538 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 139' ' ' ARG . . . . . . . . . . . . . 58.2 ttm-85 -59.34 -44.35 92.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.575 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 140' ' ' HIS . . . . . 0.701 ' O ' ' N ' ' B' ' 143' ' ' LEU . 1.8 m-70 -80.64 -66.09 0.93 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.563 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 141' ' ' ARG . . . . . 0.497 ' C ' ' O ' ' B' ' 140' ' ' HIS . 58.2 ttp180 -32.32 -32.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.48 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 142' ' ' PHE . . . . . 0.595 ' N ' ' O ' ' B' ' 140' ' ' HIS . 52.9 t80 -91.84 -31.73 15.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.572 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 143' ' ' LEU . . . . . 0.701 ' N ' ' O ' ' B' ' 140' ' ' HIS . 33.2 tp -56.11 -34.86 66.46 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.533 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 144' ' ' TRP . . . . . 0.452 ' O ' ' C ' ' B' ' 145' ' ' GLN . 72.9 t-105 -86.46 -56.28 3.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.512 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 145' ' ' GLN . . . . . 0.678 ' NE2' ' O ' ' B' ' 146' ' ' ARG . 0.9 OUTLIER -33.85 -68.32 0.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.553 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 146' ' ' ARG . . . . . 0.678 ' O ' ' NE2' ' B' ' 145' ' ' GLN . 19.4 mmm180 40.86 -133.45 0.29 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.557 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 147' ' ' ARG . . . . . . . . . . . . . 88.6 mtm180 42.46 -104.44 0.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.492 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 148' ' ' GLN . . . . . 0.509 ' O ' ' NE2' ' B' ' 145' ' ' GLN . 88.4 mt-30 -83.85 145.08 28.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.575 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 90.6 mtm180 -64.29 137.53 57.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.619 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 150' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.452 0 CA-C-O 117.941 -1.028 . . . . 0.0 110.612 179.949 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.5 ptt? . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 1.035 ' OD1' ' N ' ' A' ' 3' ' ' GLY . 51.2 p-10 -61.21 -58.55 7.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.633 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 1.035 ' N ' ' OD1' ' A' ' 2' ' ' ASP . . . 80.69 -48.81 3.77 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 58.4 m -119.86 -38.41 2.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.748 0.309 . . . . 0.0 110.56 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 156.7 -169.41 33.99 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.973 ' O ' ' HB3' ' A' ' 7' ' ' GLN . 2.8 tp10 -141.41 103.39 4.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.786 0.327 . . . . 0.0 110.538 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.973 ' HB3' ' O ' ' A' ' 6' ' ' GLU . 7.4 tt0 115.33 28.37 0.0 OUTLIER Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.505 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.918 ' CD ' ' H ' ' A' ' 7' ' ' GLN . 54.3 Cg_endo -73.66 101.95 1.44 Allowed 'Trans proline' 0 C--N 1.305 -1.715 0 C-N-CA 122.838 2.359 . . . . 0.0 112.078 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 18.9 mtp180 -52.3 172.19 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.496 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 1.27 ' O ' ' N ' ' A' ' 12' ' ' GLY . . . -83.39 -23.08 55.32 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.644 ' C ' ' O ' ' A' ' 10' ' ' GLY . . . 6.11 -42.08 0.0 OUTLIER Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.779 -0.928 . . . . 0.0 110.779 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 1.27 ' N ' ' O ' ' A' ' 10' ' ' GLY . . . -154.91 137.43 5.64 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.685 ' O ' ' C ' ' A' ' 14' ' ' THR . 50.4 Cg_exo -47.77 -92.63 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.757 0 C-N-CA 122.842 2.361 . . . . 0.0 112.252 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.685 ' C ' ' O ' ' A' ' 13' ' ' PRO . 57.7 p -1.87 83.31 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.671 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.942 ' O ' ' CD1' ' A' ' 19' ' ' ILE . 3.0 p -118.42 -148.63 0.42 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.391 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.487 ' H ' ' HB2' ' A' ' 15' ' ' SER . 50.6 m -98.69 -17.28 18.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.435 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 64.2 mm-40 -77.67 -48.62 16.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.54 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.481 ' O ' HG23 ' A' ' 22' ' ' THR . 94.5 mt-30 -67.43 -22.58 65.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.567 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.942 ' CD1' ' O ' ' A' ' 15' ' ' SER . 64.5 mt -81.99 -54.76 9.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.614 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 26.5 ttt -53.88 -36.52 62.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.576 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 38.4 mmtm -67.31 -45.96 74.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.53 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.481 HG23 ' O ' ' A' ' 18' ' ' GLN . 66.7 p -72.36 -8.35 54.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.585 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -79.17 -54.1 4.21 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.19 -9.35 59.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.836 0.351 . . . . 0.0 110.536 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.547 ' O ' ' C ' ' A' ' 26' ' ' LEU . 31.6 mt -86.71 -80.45 0.24 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.62 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.547 ' C ' ' O ' ' A' ' 25' ' ' LEU . 44.9 tp -27.11 -65.62 0.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.642 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.415 ' C ' ' N ' ' A' ' 29' ' ' GLY . 64.0 mt -51.32 -57.7 8.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.617 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.408 ' O ' ' NE2' ' A' ' 28' ' ' GLN . 6.4 tm0? -47.65 -17.95 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.557 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.542 ' O ' ' N ' ' A' ' 31' ' ' ILE . . . -88.77 -72.65 1.28 Allowed Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 41.4 t80 -42.28 -18.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.809 0.338 . . . . 0.0 110.571 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.542 ' N ' ' O ' ' A' ' 29' ' ' GLY . 70.7 mt -77.06 -69.13 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.575 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 41.1 tt0 -78.94 30.0 0.2 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.595 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.413 ' H ' ' C ' ' A' ' 31' ' ' ILE . 97.8 m-20 -112.92 -51.05 2.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.606 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 15.7 ptm180 -91.17 -27.02 18.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.62 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.473 ' CB ' HD22 ' A' ' 122' ' ' LEU . . . -99.22 -12.88 20.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.559 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -58.75 132.52 52.59 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 92.3 mtt180 -83.51 145.07 29.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.751 0.31 . . . . 0.0 110.579 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 56.4 ttp -96.57 121.83 38.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.541 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 76.91 14.89 82.14 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -83.93 -171.88 48.29 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.471 ' O ' ' HB2' ' A' ' 42' ' ' ALA . 76.7 tt0 -162.06 76.57 0.48 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.88 0.372 . . . . 0.0 110.617 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.79 ' H ' ' HD3' ' A' ' 43' ' ' PRO . . . 174.79 47.98 0.02 OUTLIER Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.644 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.79 ' HD3' ' H ' ' A' ' 42' ' ' ALA . 51.8 Cg_exo -48.33 118.75 3.46 Favored 'Trans proline' 0 C--N 1.306 -1.692 0 C-N-CA 122.81 2.34 . . . . 0.0 112.092 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -93.03 -8.66 42.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.616 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.427 HD22 ' HA ' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -107.19 66.19 0.67 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.638 179.95 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -74.27 137.97 43.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.579 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.461 HD12 ' HA ' ' A' ' 47' ' ' LEU . 22.7 tp -174.34 -81.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.608 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.638 ' N ' ' HD3' ' A' ' 49' ' ' PRO . 27.6 p-10 -161.77 54.79 0.54 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.642 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.638 ' HD3' ' N ' ' A' ' 48' ' ' ASP . 27.3 Cg_exo -58.29 58.31 0.05 OUTLIER 'Trans proline' 0 C--N 1.306 -1.667 0 C-N-CA 122.806 2.337 . . . . 0.0 111.976 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.622 ' N ' ' O ' ' A' ' 48' ' ' ASP . 2.9 m -150.15 53.38 1.25 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.661 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.604 ' HD3' ' N ' ' A' ' 50' ' ' VAL . 50.2 Cg_exo -51.05 162.91 0.96 Allowed 'Trans proline' 0 C--N 1.305 -1.744 0 C-N-CA 122.772 2.315 . . . . 0.0 112.023 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 69.2 tp60 -141.7 -36.92 0.42 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.575 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 43.2 p-10 -87.91 133.84 33.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.546 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -81.39 -0.95 43.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.542 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 68.8 m -61.38 -39.85 92.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.543 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 73.7 p -83.37 -33.8 25.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.529 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 64.4 tttp -49.87 -54.73 17.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.594 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 29.9 ttpt -59.81 -48.07 83.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.601 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.62 ' O ' HD23 ' A' ' 59' ' ' LEU . 0.8 OUTLIER -61.6 -26.13 67.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.601 179.916 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.5 t -71.57 -35.24 70.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.529 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.466 ' CD ' ' NH2' ' A' ' 65' ' ' ARG . 43.6 tt0 -64.18 -31.49 72.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.566 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.417 ' O ' HG22 ' A' ' 66' ' ' ILE . 99.7 m -64.42 -37.76 88.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.548 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.472 ' N ' HD12 ' A' ' 63' ' ' LEU . 9.6 mp -75.47 -24.54 56.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.543 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -84.31 -36.58 22.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.637 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.466 ' NH2' ' CD ' ' A' ' 61' ' ' GLU . 99.4 mtt180 -68.54 -44.56 74.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.528 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.417 HG22 ' O ' ' A' ' 62' ' ' CYS . 20.5 tt -76.37 -35.11 26.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.544 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.425 ' O ' ' CB ' ' A' ' 71' ' ' ASP . . . -61.03 -45.46 96.56 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -62.68 -34.32 76.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.84 0.352 . . . . 0.0 110.601 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 50.6 tp10 -79.64 -58.49 3.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.557 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.21 -43.0 74.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.526 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.425 ' CB ' ' O ' ' A' ' 67' ' ' GLY . 54.7 t0 -65.09 -8.77 18.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.56 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 7.4 t -96.41 7.13 47.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.525 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -92.96 111.48 23.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.566 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 96.8 mmm -68.37 -11.1 59.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.592 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -80.36 -67.28 0.78 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.571 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.6 tp -59.82 -40.37 88.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.523 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 8.3 tm0? -61.74 -37.92 86.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.588 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 72.4 ttt180 -68.57 -44.9 73.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.548 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.432 ' SD ' HG23 ' A' ' 182' ' ' THR . 64.0 mtp -54.49 -43.91 72.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.584 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.643 ' O ' HG12 ' A' ' 83' ' ' VAL . 86.2 mt -62.35 -23.72 32.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.598 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -85.95 -18.81 31.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.627 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -86.37 -15.46 40.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.62 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.874 ' O ' HG13 ' A' ' 83' ' ' VAL . 8.1 p -89.34 82.75 2.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.583 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.423 ' O ' ' O ' ' A' ' 83' ' ' VAL . 56.5 p-10 -40.58 162.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.513 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 75.0 p -119.64 120.01 35.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.659 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -148.95 -0.22 0.52 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.488 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.686 ' O ' HG12 ' A' ' 91' ' ' VAL . 40.4 t -175.82 88.25 0.29 Allowed Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.458 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.5 ' O ' ' CB ' ' A' ' 92' ' ' PHE . 36.7 Cg_endo -68.79 -15.64 40.87 Favored 'Trans proline' 0 C--N 1.306 -1.684 0 C-N-CA 122.793 2.328 . . . . 0.0 112.092 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 15.0 ptt-85 -86.0 -34.19 20.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.551 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -79.3 -57.44 3.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.602 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.686 HG12 ' O ' ' A' ' 87' ' ' SER . 9.7 p -57.51 -51.19 72.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.527 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.654 ' N ' HG13 ' A' ' 91' ' ' VAL . 85.3 t80 -46.17 -52.16 12.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.479 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -67.84 -30.47 69.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.6 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 16.2 tpp180 -71.46 -57.97 3.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.581 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.625 HG23 ' N ' ' A' ' 96' ' ' ALA . 27.5 m -59.34 -48.07 88.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.534 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.625 ' N ' HG23 ' A' ' 95' ' ' VAL . . . -55.15 -27.65 47.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.522 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -81.85 -38.92 24.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.561 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 99' ' ' MET . 99.5 m-20 -63.17 -38.68 92.13 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.53 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' MET . . . . . 0.559 ' HB2' HH21 ' A' ' 109' ' ' ARG . 64.2 mtt -38.42 -68.79 0.14 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.605 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.601 ' CD2' ' O ' ' A' ' 100' ' ' PHE . 16.8 p90 -111.37 57.6 0.63 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.535 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.1 t -74.7 -26.86 60.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.557 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.532 ' O ' ' C ' ' A' ' 103' ' ' GLY . 55.1 p-10 -155.57 -18.39 0.11 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.533 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.532 ' C ' ' O ' ' A' ' 102' ' ' ASP . . . -26.32 -80.65 0.01 OUTLIER Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ASN . . . . . 0.608 ' O ' ' CG ' ' A' ' 105' ' ' PHE . 10.9 m-20 174.5 34.38 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.785 0.326 . . . . 0.0 110.514 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.608 ' CG ' ' O ' ' A' ' 104' ' ' ASN . 31.8 p90 42.64 29.07 0.14 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.564 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.519 ' O ' ' HB2' ' A' ' 107' ' ' TRP . 28.4 p30 -52.12 -110.44 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.615 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' TRP . . . . . 0.543 ' NE1' HG21 ' A' ' 110' ' ' VAL . 6.5 t90 174.64 -26.2 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.549 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.598 ' O ' HG12 ' A' ' 111' ' ' VAL . . . -50.11 -42.07 39.4 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.559 HH21 ' HB2' ' A' ' 99' ' ' MET . 0.0 OUTLIER -48.24 -26.04 1.79 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.756 0.312 . . . . 0.0 110.511 -179.947 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.543 HG21 ' NE1' ' A' ' 107' ' ' TRP . 36.0 t -52.52 -57.94 3.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.536 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.598 HG12 ' O ' ' A' ' 108' ' ' GLY . 4.8 p -45.29 -46.66 3.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.577 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.581 ' N ' HG13 ' A' ' 111' ' ' VAL . . . -58.11 -35.18 71.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.514 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.663 ' O ' HD23 ' A' ' 113' ' ' LEU . 2.0 tt -56.86 -46.7 81.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.566 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.45 ' CZ ' ' CG1' ' A' ' 110' ' ' VAL . 9.9 m-85 -57.17 -44.1 83.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.529 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 92.9 t80 -68.07 -43.62 78.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.534 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.451 ' CE2' HG21 ' A' ' 95' ' ' VAL . 93.2 t80 -59.05 -41.81 88.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.541 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.508 ' O ' HG23 ' A' ' 121' ' ' VAL . . . -71.04 -32.5 69.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.52 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 5.6 t -48.64 -44.27 37.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.56 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.808 ' O ' ' CB ' ' A' ' 123' ' ' LYS . 56.4 mmtt -59.85 -43.68 94.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.566 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 52.2 mt -68.19 -30.95 70.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.582 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.732 HG13 HG23 ' A' ' 133' ' ' ILE . 54.0 t -77.43 -53.14 15.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.638 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.473 HD22 ' CB ' ' A' ' 35' ' ' ALA . 74.0 mt -73.25 -40.81 64.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.517 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.808 ' CB ' ' O ' ' A' ' 119' ' ' LYS . 14.5 tmtt? -58.22 -41.16 83.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.543 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -75.71 -20.81 58.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.607 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 5.0 tp -64.15 -30.87 71.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.583 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' CYS . . . . . 0.467 ' SG ' ' N ' ' A' ' 127' ' ' THR . 14.6 p -84.22 -35.96 23.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.616 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.551 ' O ' ' CB ' ' A' ' 128' ' ' LYS . 52.3 m -54.26 -16.19 2.0 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.564 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.551 ' CB ' ' O ' ' A' ' 127' ' ' THR . 44.1 tttp 84.46 46.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.555 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.492 HG23 ' O ' ' A' ' 129' ' ' VAL . 15.5 m -148.18 88.7 5.38 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.58 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -71.17 -14.48 31.68 Favored 'Trans proline' 0 C--N 1.304 -1.769 0 C-N-CA 122.793 2.329 . . . . 0.0 112.048 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -64.59 -41.02 96.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.533 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 9.2 mp -61.08 -33.99 74.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.528 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.732 HG23 HG13 ' A' ' 121' ' ' VAL . 21.4 mm -56.99 -49.98 77.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.48 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 82.6 mtp180 -69.33 -34.68 74.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.493 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 7.2 m -67.34 -31.96 72.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.453 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.415 HG21 ' CG2' ' A' ' 121' ' ' VAL . 46.6 mt -69.71 -58.7 4.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.571 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 137' ' ' MET . . . . . 0.492 ' CE ' HD11 ' A' ' 31' ' ' ILE . 28.5 mmt -46.62 -25.53 0.73 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.493 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -68.61 -40.5 85.87 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 139' ' ' TRP . . . . . 0.519 ' CD1' ' N ' ' A' ' 139' ' ' TRP . 11.3 m0 -66.31 -24.53 66.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.791 0.329 . . . . 0.0 110.478 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 140' ' ' THR . . . . . 0.478 ' OG1' ' N ' ' A' ' 141' ' ' LEU . 20.4 p -75.48 -65.84 0.85 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.556 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.478 ' N ' ' OG1' ' A' ' 140' ' ' THR . 52.9 mt -51.78 -33.58 35.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.561 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -65.81 -51.02 62.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.532 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 143' ' ' PHE . . . . . 0.432 ' O ' ' HB2' ' A' ' 147' ' ' ARG . 5.6 t80 -66.8 -38.93 87.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.57 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.566 HD12 ' HB2' ' A' ' 148' ' ' LEU . 1.7 tp -71.01 -35.6 72.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.532 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 58.8 ttp180 -82.96 -10.63 58.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.593 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 69.2 mm-40 -112.05 -4.59 14.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.602 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 147' ' ' ARG . . . . . 1.152 ' O ' ' N ' ' A' ' 149' ' ' LEU . 11.9 mtp180 -142.19 -110.89 0.13 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.576 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 148' ' ' LEU . . . . . 0.812 ' H ' HD22 ' A' ' 148' ' ' LEU . 1.0 OUTLIER -15.44 -27.74 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.553 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 149' ' ' LEU . . . . . 1.152 ' N ' ' O ' ' A' ' 147' ' ' ARG . 1.1 tt -49.14 -56.23 9.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.539 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -63.92 -50.52 60.4 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 151' ' ' TRP . . . . . . . . . . . . . 99.2 m95 -66.47 -55.68 14.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.785 0.326 . . . . 0.0 110.552 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 152' ' ' ILE . . . . . 0.697 ' N ' ' O ' ' A' ' 148' ' ' LEU . 10.3 tt -51.41 -34.31 15.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.538 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 153' ' ' GLN . . . . . 0.419 ' CD ' ' CD2' ' A' ' 149' ' ' LEU . 6.9 mt-30 -67.42 -31.4 71.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.591 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -88.81 -4.7 58.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.62 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -97.46 0.84 48.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.581 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 83.56 24.72 49.48 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 89.88 -160.4 28.64 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.816 -0.914 . . . . 0.0 110.816 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 158' ' ' TRP . . . . . 0.429 ' CD1' HD11 ' A' ' 152' ' ' ILE . 39.4 m95 -73.95 -5.59 42.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.888 0.375 . . . . 0.0 110.651 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 67.4 t0 -60.93 -42.41 98.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.619 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -54.41 -32.26 52.07 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 161' ' ' LEU . . . . . 0.579 ' O ' HD23 ' A' ' 161' ' ' LEU . 2.1 tt -62.85 -54.0 45.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.864 0.364 . . . . 0.0 110.624 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 51.2 tp -67.12 -31.06 71.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.52 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 5.0 t -66.81 -26.37 66.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.537 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 93.9 t80 -76.46 -42.67 42.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.588 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -71.7 47.92 0.14 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.599 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -130.8 39.12 1.83 Allowed Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 167' ' ' THR . . . . . 1.063 ' OG1' ' HD2' ' A' ' 168' ' ' PRO . 0.6 OUTLIER -108.61 -179.67 0.72 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 120.912 0.387 . . . . 0.0 110.567 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 168' ' ' PRO . . . . . 1.063 ' HD2' ' OG1' ' A' ' 167' ' ' THR . 55.2 Cg_endo -73.73 -146.35 0.03 OUTLIER 'Trans proline' 0 C--N 1.305 -1.733 0 C-N-CA 122.811 2.34 . . . . 0.0 112.12 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 169' ' ' THR . . . . . 0.595 ' C ' ' O ' ' A' ' 168' ' ' PRO . 21.4 p -22.29 101.03 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.618 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 170' ' ' TRP . . . . . 0.688 ' O ' HG22 ' A' ' 173' ' ' VAL . 27.3 p90 -64.69 -18.62 65.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.53 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 171' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.26 -14.11 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.53 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 172' ' ' THR . . . . . 0.522 ' O ' HG22 ' A' ' 175' ' ' ILE . 4.6 m -86.92 -29.54 22.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.554 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 173' ' ' VAL . . . . . 0.688 HG22 ' O ' ' A' ' 170' ' ' TRP . 2.0 m -72.15 -45.7 61.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.462 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 174' ' ' THR . . . . . 0.566 ' N ' ' CG2' ' A' ' 173' ' ' VAL . 25.0 m -64.53 -24.94 67.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.554 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 175' ' ' ILE . . . . . 0.522 HG22 ' O ' ' A' ' 172' ' ' THR . 1.7 tt -85.77 -7.43 10.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.587 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 176' ' ' PHE . . . . . 0.489 ' O ' HG12 ' A' ' 180' ' ' VAL . 63.4 t80 -94.65 -60.14 1.77 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.529 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 3.2 m -62.05 -16.72 16.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.553 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 178' ' ' ALA . . . . . 0.621 ' O ' ' OG1' ' A' ' 182' ' ' THR . . . -95.55 -45.93 6.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.587 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -62.29 -26.16 67.51 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 180' ' ' VAL . . . . . 0.699 HG13 ' N ' ' A' ' 181' ' ' LEU . 14.0 p -86.32 -51.66 12.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.84 0.352 . . . . 0.0 110.588 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 181' ' ' LEU . . . . . 0.699 ' N ' HG13 ' A' ' 180' ' ' VAL . 45.9 tp -69.35 -47.97 62.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.549 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 182' ' ' THR . . . . . 0.621 ' OG1' ' O ' ' A' ' 178' ' ' ALA . 26.3 m -50.5 -51.4 47.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.536 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -47.33 -45.74 24.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.558 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 184' ' ' SER . . . . . . . . . . . . . 27.1 t -54.37 -37.92 65.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.595 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 58.3 mt -77.66 -21.69 51.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.591 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 21.3 m -73.21 -44.87 58.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.571 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 187' ' ' ILE . . . . . 0.636 HG23 ' N ' ' A' ' 188' ' ' TRP . 12.3 tt -73.66 -51.59 24.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.57 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 188' ' ' TRP . . . . . 0.636 ' N ' HG23 ' A' ' 187' ' ' ILE . 0.2 OUTLIER -30.8 -56.9 0.22 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.513 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 7.8 mmtt -175.8 128.24 0.24 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.585 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 190' ' ' LYS . . . . . . . . . . . . . 17.7 pttm -109.87 89.61 3.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.545 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 191' ' ' MET . . . . . . . . . . . . . 82.3 mtp -128.6 136.55 50.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.559 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.738 0 CA-C-O 117.968 -1.462 . . . . 0.0 110.982 179.941 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 130' ' ' CYS . . . . . 0.474 ' O ' ' SG ' ' B' ' 130' ' ' CYS . 53.8 t . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 131' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -72.01 -42.39 66.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.596 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -153.0 87.02 1.26 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.615 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 133' ' ' LEU . . . . . 0.49 HD22 ' N ' ' B' ' 133' ' ' LEU . 4.4 mm? 56.62 52.89 9.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.526 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 134' ' ' LYS . . . . . 0.481 ' HB3' ' O ' ' B' ' 133' ' ' LEU . 64.2 tttm 67.25 -83.66 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.589 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 135' ' ' LYS . . . . . 0.411 ' CG ' ' O ' ' B' ' 134' ' ' LYS . 51.9 mtmt -158.19 134.58 9.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.58 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 136' ' ' ALA . . . . . . . . . . . . . . . -72.69 143.78 47.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.575 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 40.6 mt -83.67 80.35 9.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.606 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 138' ' ' ARG . . . . . . . . . . . . . 83.4 mtt85 -63.89 -34.16 77.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.609 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 139' ' ' ARG . . . . . . . . . . . . . 83.5 mtp180 -61.81 -45.04 95.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.537 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 140' ' ' HIS . . . . . 0.703 ' O ' ' N ' ' B' ' 143' ' ' LEU . 60.7 m80 -78.8 -66.34 0.87 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.495 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 141' ' ' ARG . . . . . 0.493 ' C ' ' O ' ' B' ' 140' ' ' HIS . 72.0 ttp85 -31.85 -33.91 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.49 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 142' ' ' PHE . . . . . 0.57 ' N ' ' O ' ' B' ' 140' ' ' HIS . 12.9 t80 -90.08 -33.26 16.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.544 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 143' ' ' LEU . . . . . 0.703 ' N ' ' O ' ' B' ' 140' ' ' HIS . 33.3 tp -54.31 -36.68 63.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.514 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 144' ' ' TRP . . . . . 0.484 ' O ' ' C ' ' B' ' 145' ' ' GLN . 66.2 t-105 -84.69 -56.63 3.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.561 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 145' ' ' GLN . . . . . 0.484 ' C ' ' O ' ' B' ' 144' ' ' TRP . 13.1 tm0? -32.99 -65.11 0.17 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.562 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 146' ' ' ARG . . . . . 0.471 ' HG2' ' H ' ' B' ' 148' ' ' GLN . 62.5 ttm-85 -57.03 141.67 44.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.529 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 147' ' ' ARG . . . . . . . . . . . . . 85.9 mtm-85 -54.61 -42.06 70.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.538 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 148' ' ' GLN . . . . . 0.476 ' C ' ' N ' ' B' ' 150' ' ' ALA . 43.5 mm-40 49.7 37.54 13.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.568 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 21.2 mmt85 48.01 13.89 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.597 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 150' ' ' ALA . . . . . 0.476 ' N ' ' C ' ' B' ' 148' ' ' GLN . . . . . . . . 0 C--O 1.22 -0.46 0 CA-C-O 117.971 -1.014 . . . . 0.0 110.546 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.6 ptt? . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.51 ' OD1' ' N ' ' A' ' 3' ' ' GLY . 41.7 p-10 -74.87 -33.12 62.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.548 -146.601 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.51 ' N ' ' OD1' ' A' ' 2' ' ' ASP . . . 67.58 -68.04 0.27 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 -153.785 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 15.1 m -160.26 -35.2 0.05 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.814 0.34 . . . . 0.0 110.646 -119.27 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 179.53 179.78 48.79 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 126.523 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -73.06 133.82 44.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.799 0.333 . . . . 0.0 110.65 125.168 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 58.71 72.63 0.81 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.606 167.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -47.26 155.76 1.05 Allowed 'Trans proline' 0 C--N 1.305 -1.719 0 C-N-CA 122.817 2.344 . . . . 0.0 112.067 122.126 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 85.9 mtp180 -120.99 171.91 8.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.566 118.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 179.85 60.67 0.08 OUTLIER Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 122.572 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -74.03 60.35 2.21 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.986 -0.845 . . . . 0.0 110.986 133.31 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 176.2 31.89 0.04 OUTLIER Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -144.296 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -83.22 -11.77 9.58 Favored 'Trans proline' 0 C--N 1.305 -1.754 0 C-N-CA 122.768 2.312 . . . . 0.0 112.112 -105.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 64.1 p -75.81 78.53 2.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.537 -172.122 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 88.6 p -165.27 173.66 11.01 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.528 -149.772 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 70.0 m -74.88 -6.95 51.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.548 -151.755 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -92.85 -47.3 7.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.572 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 44.4 tp60 -64.09 -27.93 69.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.566 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 85.2 mt -79.04 -53.26 13.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.483 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.456 ' SD ' ' C ' ' A' ' 20' ' ' MET . 2.1 tmt? -55.65 -35.85 66.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.466 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.443 ' O ' ' HB2' ' A' ' 25' ' ' LEU . 16.9 ttmm -68.08 -45.11 74.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.48 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.437 HG22 ' O ' ' A' ' 22' ' ' THR . 37.7 m -72.82 -9.37 58.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.572 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -78.57 -53.83 4.52 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.568 ' O ' ' NE2' ' A' ' 28' ' ' GLN . . . -78.14 -9.47 59.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.885 0.374 . . . . 0.0 110.453 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.551 ' O ' ' C ' ' A' ' 26' ' ' LEU . 1.7 mp -86.96 -80.4 0.25 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.482 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.551 ' C ' ' O ' ' A' ' 25' ' ' LEU . 1.2 tt -27.11 -65.61 0.07 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.539 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.841 ' O ' HG13 ' A' ' 31' ' ' ILE . 0.4 OUTLIER -51.38 -58.34 6.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.541 179.922 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.64 ' HA ' HD12 ' A' ' 31' ' ' ILE . 0.4 OUTLIER -47.0 -17.44 0.05 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.427 179.922 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.564 ' O ' ' N ' ' A' ' 31' ' ' ILE . . . -89.45 -73.39 1.28 Allowed Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.871 -0.892 . . . . 0.0 110.871 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 44.4 t80 -41.59 -18.77 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.846 0.355 . . . . 0.0 110.48 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.841 HG13 ' O ' ' A' ' 27' ' ' LEU . 74.7 mt -76.96 -69.95 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.47 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.687 ' CB ' HD13 ' A' ' 45' ' ' LEU . 16.7 pt20 -78.41 30.48 0.18 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.567 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.423 ' H ' ' C ' ' A' ' 31' ' ' ILE . 67.2 t0 -113.41 -51.13 2.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.517 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 -91.32 -26.92 18.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.639 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.474 ' CB ' HD22 ' A' ' 122' ' ' LEU . . . -98.89 -13.1 20.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.601 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -75.65 -19.88 78.76 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.568 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 63.4 ttm-85 -62.06 -39.35 92.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.753 0.311 . . . . 0.0 110.483 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 97.4 mmm -65.33 -37.21 86.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.661 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 75.27 -99.32 1.18 Allowed Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.639 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 67.33 -126.84 25.95 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.859 -0.896 . . . . 0.0 110.859 -179.608 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -60.16 146.14 44.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.754 0.311 . . . . 0.0 110.555 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -39.7 155.75 0.16 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.54 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -43.6 106.42 0.08 OUTLIER 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.811 2.341 . . . . 0.0 112.09 -179.23 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -84.21 -12.58 54.58 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.526 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.745 ' CD2' HG22 ' A' ' 31' ' ' ILE . 0.0 OUTLIER -97.45 65.25 1.92 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.579 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -76.95 135.96 38.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.555 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.589 ' N ' HD23 ' A' ' 47' ' ' LEU . 1.4 pt? -158.86 -144.07 0.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.57 179.152 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -131.58 82.32 61.63 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.605 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 5.3 Cg_exo -77.2 46.73 2.04 Favored 'Trans proline' 0 C--N 1.305 -1.728 0 C-N-CA 122.809 2.339 . . . . 0.0 112.059 179.417 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.694 ' N ' ' CD ' ' A' ' 51' ' ' PRO . 0.6 OUTLIER -71.72 -39.1 6.87 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.574 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.694 ' CD ' ' N ' ' A' ' 50' ' ' VAL . 3.8 Cg_exo -74.73 157.54 43.82 Favored 'Trans proline' 0 C--N 1.304 -1.78 0 C-N-CA 122.864 2.376 . . . . 0.0 112.174 179.451 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -149.81 21.37 0.9 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.513 -179.076 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -58.41 143.88 43.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.575 179.315 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -86.04 -1.98 57.88 Favored 'General case' 0 C--N 1.347 0.477 0 O-C-N 120.018 -1.676 . . . . 0.0 110.497 -176.609 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 70.5 m -59.23 -39.99 84.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.562 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 74.3 p -81.61 -34.02 31.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.533 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 58.4 mmtt -50.18 -54.89 17.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.553 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 30.3 ttpt -59.84 -47.73 84.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.567 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.3 mt -61.88 -26.53 68.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.64 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.6 t -71.15 -35.4 71.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.546 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -63.81 -31.88 73.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.525 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.431 ' O ' HG22 ' A' ' 66' ' ' ILE . 94.5 m -64.07 -37.88 89.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.586 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.412 ' N ' HD12 ' A' ' 63' ' ' LEU . 7.6 mp -75.24 -24.56 57.69 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.597 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -84.4 -36.47 22.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.572 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.44 ' O ' ' OE2' ' A' ' 69' ' ' GLU . 99.7 mtt180 -68.76 -44.35 73.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.473 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.431 HG22 ' O ' ' A' ' 62' ' ' CYS . 20.5 tt -76.62 -35.04 24.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.501 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.43 ' O ' ' CB ' ' A' ' 71' ' ' ASP . . . -61.03 -45.43 96.63 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.951 -0.859 . . . . 0.0 110.951 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 47.6 t0 -62.86 -34.18 76.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.792 0.33 . . . . 0.0 110.591 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.544 ' OE1' ' N ' ' A' ' 69' ' ' GLU . 0.3 OUTLIER -79.62 -58.84 2.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.525 179.924 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -54.81 -43.27 72.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.481 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.43 ' CB ' ' O ' ' A' ' 67' ' ' GLY . 38.9 t70 -64.97 -8.61 16.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.623 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.7 t -96.65 7.31 46.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.499 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -93.27 111.28 22.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.614 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 8.7 ptm -67.92 -11.73 59.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.582 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 80.3 tt0 -79.93 -67.28 0.78 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.595 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 8.1 tp -59.8 -40.29 87.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.601 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.717 HE22 ' HZ2' ' A' ' 119' ' ' LYS . 69.4 tp60 -61.92 -37.77 85.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.477 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 75.1 ttt180 -68.66 -44.73 73.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.517 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.478 ' SD ' HG23 ' A' ' 182' ' ' THR . 73.4 mtp -54.69 -43.94 72.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.566 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.651 ' O ' HG12 ' A' ' 83' ' ' VAL . 83.7 mt -62.18 -24.16 33.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.637 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -85.34 -19.03 32.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.538 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -86.4 -15.5 40.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.593 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.852 ' O ' HG13 ' A' ' 83' ' ' VAL . 8.1 p -89.61 84.39 2.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.56 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 55.0 p-10 -44.52 159.97 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.628 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.444 ' O ' ' OD1' ' A' ' 86' ' ' ASP . 66.9 p -116.56 127.69 54.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.586 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.444 ' OD1' ' O ' ' A' ' 85' ' ' THR . 69.1 m-20 -156.86 1.7 0.13 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.63 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.456 ' O ' HG12 ' A' ' 91' ' ' VAL . 37.9 t -175.87 71.55 0.26 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.603 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.582 ' O ' ' CB ' ' A' ' 92' ' ' PHE . 2.7 Cg_endo -49.96 -27.44 16.37 Favored 'Trans proline' 0 C--N 1.305 -1.755 0 C-N-CA 122.767 2.312 . . . . 0.0 111.994 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.502 ' CG ' ' N ' ' A' ' 90' ' ' GLU . 34.5 ptt-85 -75.27 -44.31 46.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.592 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.502 ' N ' ' CG ' ' A' ' 89' ' ' ARG . 94.2 mt-10 -67.02 -62.85 1.22 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.548 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.705 HG13 ' N ' ' A' ' 92' ' ' PHE . 10.5 p -52.97 -54.53 16.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.518 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.705 ' N ' HG13 ' A' ' 91' ' ' VAL . 82.8 t80 -42.67 -55.83 3.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.589 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -64.73 -31.71 73.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.554 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 11.6 tpp85 -69.9 -59.09 3.14 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.495 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.638 HG23 ' N ' ' A' ' 96' ' ' ALA . 27.5 m -58.54 -48.71 84.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.542 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.638 ' N ' HG23 ' A' ' 95' ' ' VAL . . . -54.18 -27.74 35.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.588 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -81.93 -39.19 24.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.547 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.413 ' O ' ' C ' ' A' ' 99' ' ' MET . 99.8 m-20 -62.78 -38.97 92.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.612 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' MET . . . . . 0.544 ' HB2' HH21 ' A' ' 109' ' ' ARG . 63.5 mtt -37.97 -69.28 0.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.568 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.604 ' CD2' ' O ' ' A' ' 100' ' ' PHE . 16.3 p90 -111.07 57.84 0.62 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.521 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.2 t -74.91 -26.88 59.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.563 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.538 ' O ' ' C ' ' A' ' 103' ' ' GLY . 55.3 p-10 -155.55 -18.47 0.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.547 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.538 ' C ' ' O ' ' A' ' 102' ' ' ASP . . . -26.19 -80.76 0.01 OUTLIER Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ASN . . . . . 0.61 ' O ' ' CG ' ' A' ' 105' ' ' PHE . 8.3 m-20 174.48 34.21 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.764 0.316 . . . . 0.0 110.523 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.61 ' CG ' ' O ' ' A' ' 104' ' ' ASN . 28.4 p90 42.72 29.5 0.17 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.554 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.531 ' O ' ' HB2' ' A' ' 107' ' ' TRP . 28.5 p30 -52.29 -110.21 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.53 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' TRP . . . . . 0.531 ' HB2' ' O ' ' A' ' 106' ' ' ASN . 6.7 t90 174.25 -26.14 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.505 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.587 ' O ' HG12 ' A' ' 111' ' ' VAL . . . -50.37 -42.07 41.58 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.544 HH21 ' HB2' ' A' ' 99' ' ' MET . 0.0 OUTLIER -48.31 -25.36 1.53 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.808 0.337 . . . . 0.0 110.586 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.52 HG21 ' NE1' ' A' ' 107' ' ' TRP . 36.5 t -53.3 -57.61 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.566 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.587 HG12 ' O ' ' A' ' 108' ' ' GLY . 4.7 p -45.51 -46.82 4.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.567 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.581 ' N ' HG13 ' A' ' 111' ' ' VAL . . . -58.28 -34.1 70.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.534 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.697 ' O ' HD23 ' A' ' 113' ' ' LEU . 2.2 tt -57.87 -46.01 85.47 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.519 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.411 ' CD2' ' HG ' ' A' ' 27' ' ' LEU . 3.2 m-85 -58.02 -43.4 86.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.58 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 89.8 t80 -68.76 -42.19 77.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.538 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.455 ' CE2' HG21 ' A' ' 95' ' ' VAL . 92.3 t80 -60.23 -41.31 92.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.551 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.551 ' O ' HG23 ' A' ' 121' ' ' VAL . . . -72.03 -31.88 66.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.465 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 5.8 t -49.28 -42.62 41.57 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.519 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.818 ' O ' ' CB ' ' A' ' 123' ' ' LYS . 57.3 mmtt -61.87 -43.45 98.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.546 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 50.2 mt -68.44 -28.86 67.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.377 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.63 HG13 HG23 ' A' ' 133' ' ' ILE . 59.3 t -79.12 -54.1 12.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.385 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.474 HD22 ' CB ' ' A' ' 35' ' ' ALA . 68.5 mt -72.48 -40.91 66.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.482 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.818 ' CB ' ' O ' ' A' ' 119' ' ' LYS . 19.8 ttpp -58.13 -40.61 81.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.418 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.478 ' O ' ' OG1' ' A' ' 127' ' ' THR . . . -76.58 -19.83 57.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.458 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 5.6 tt -65.43 -31.03 71.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.575 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' CYS . . . . . 0.465 ' SG ' ' N ' ' A' ' 127' ' ' THR . 1.6 p -84.92 -33.54 22.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.545 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.664 ' O ' ' HB2' ' A' ' 128' ' ' LYS . 35.8 p -56.23 -21.69 25.0 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.616 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.664 ' HB2' ' O ' ' A' ' 127' ' ' THR . 17.4 mtpp 86.39 53.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.602 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.417 HG13 ' O ' ' A' ' 128' ' ' LYS . 0.1 OUTLIER -154.55 69.65 5.94 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.608 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 130' ' ' PRO . . . . . 0.406 ' HA ' HG12 ' A' ' 133' ' ' ILE . 1.7 Cg_endo -48.42 -27.91 10.86 Favored 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 122.87 2.38 . . . . 0.0 112.119 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 131' ' ' GLU . . . . . 0.531 ' O ' HG23 ' A' ' 135' ' ' THR . 80.9 tt0 -51.81 -52.05 51.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.639 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.528 ' HA ' ' OG1' ' A' ' 135' ' ' THR . 8.6 mp -50.32 -35.88 29.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.618 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.63 HG23 HG13 ' A' ' 121' ' ' VAL . 22.5 mm -56.5 -51.0 70.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.785 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 93.9 mtt180 -68.89 -35.23 76.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.604 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' THR . . . . . 0.531 HG23 ' O ' ' A' ' 131' ' ' GLU . 69.1 p -66.21 -32.05 73.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.652 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.407 HG21 ' CG2' ' A' ' 121' ' ' VAL . 47.2 mt -69.51 -59.09 3.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.591 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 78.6 mtm -46.06 -25.75 0.63 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.632 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -68.31 -40.73 87.17 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 139' ' ' TRP . . . . . 0.563 ' CD1' ' N ' ' A' ' 139' ' ' TRP . 9.3 m0 -66.12 -24.57 66.71 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.766 0.317 . . . . 0.0 110.599 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 140' ' ' THR . . . . . 0.471 ' OG1' ' N ' ' A' ' 141' ' ' LEU . 22.9 p -75.42 -65.66 0.86 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.515 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.471 ' N ' ' OG1' ' A' ' 140' ' ' THR . 53.8 mt -51.91 -33.58 37.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.581 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -65.81 -51.0 62.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.52 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 143' ' ' PHE . . . . . 0.413 ' O ' ' HB2' ' A' ' 147' ' ' ARG . 5.2 t80 -66.88 -38.91 87.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.543 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.564 HD12 ' HB2' ' A' ' 148' ' ' LEU . 2.0 tp -70.94 -35.57 72.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.6 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 59.0 ttp180 -82.74 -11.14 58.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.537 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -111.67 -4.83 14.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.56 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 147' ' ' ARG . . . . . 1.146 ' O ' ' N ' ' A' ' 149' ' ' LEU . 12.1 mtp180 -141.74 -110.56 0.13 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.554 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 148' ' ' LEU . . . . . 0.795 ' H ' HD22 ' A' ' 148' ' ' LEU . 1.0 OUTLIER -16.05 -27.01 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.612 -179.896 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 149' ' ' LEU . . . . . 1.146 ' N ' ' O ' ' A' ' 147' ' ' ARG . 48.5 tp -49.72 -55.95 12.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.545 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -64.11 -50.71 58.63 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 151' ' ' TRP . . . . . . . . . . . . . 99.6 m95 -66.11 -55.98 13.73 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.772 0.32 . . . . 0.0 110.501 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 152' ' ' ILE . . . . . 0.685 ' N ' ' O ' ' A' ' 148' ' ' LEU . 10.8 tt -51.32 -34.03 14.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.453 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 47.4 tt0 -67.63 -31.29 71.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.56 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -89.23 -4.01 58.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.488 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -98.12 0.97 47.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.623 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 83.42 24.36 51.17 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 89.89 -160.02 28.34 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . 59.1 m95 -74.22 -5.47 42.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.82 0.343 . . . . 0.0 110.556 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -61.09 -42.47 98.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.518 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -54.69 -31.54 53.46 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 161' ' ' LEU . . . . . 0.588 ' O ' HD23 ' A' ' 161' ' ' LEU . 2.1 tt -63.55 -53.49 50.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.812 0.339 . . . . 0.0 110.611 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 51.6 tp -67.95 -30.28 69.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.55 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 5.5 t -68.11 -23.76 64.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.629 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 91.1 t80 -80.09 -41.02 26.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.634 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -71.49 50.68 0.17 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.57 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -135.9 42.64 1.31 Allowed Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 167' ' ' THR . . . . . 0.643 ' O ' ' O ' ' A' ' 168' ' ' PRO . 0.5 OUTLIER -111.57 161.57 24.88 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 120.883 0.373 . . . . 0.0 110.534 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 168' ' ' PRO . . . . . 0.643 ' O ' ' O ' ' A' ' 167' ' ' THR . 1.4 Cg_endo -47.72 -136.62 0.0 OUTLIER 'Trans proline' 0 C--N 1.306 -1.707 0 C-N-CA 122.752 2.301 . . . . 0.0 112.074 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 169' ' ' THR . . . . . 0.468 HG23 ' H ' ' A' ' 169' ' ' THR . 10.6 p -38.43 114.15 0.35 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.613 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 170' ' ' TRP . . . . . 0.718 ' O ' HG22 ' A' ' 173' ' ' VAL . 8.3 p90 -71.79 -18.12 62.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.576 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 171' ' ' GLN . . . . . 0.4 ' O ' HD12 ' A' ' 175' ' ' ILE . 0.0 OUTLIER -47.31 -15.89 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.565 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 172' ' ' THR . . . . . 0.462 ' N ' ' C ' ' A' ' 170' ' ' TRP . 4.8 m -85.26 -29.45 24.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.543 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 173' ' ' VAL . . . . . 0.718 HG22 ' O ' ' A' ' 170' ' ' TRP . 2.0 m -72.36 -45.6 59.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.614 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 174' ' ' THR . . . . . 0.57 ' N ' ' CG2' ' A' ' 173' ' ' VAL . 24.9 m -64.5 -25.12 67.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.594 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 175' ' ' ILE . . . . . 0.554 HG22 ' O ' ' A' ' 175' ' ' ILE . 90.7 mt -85.59 -7.5 10.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.608 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 176' ' ' PHE . . . . . 0.486 ' O ' HG12 ' A' ' 180' ' ' VAL . 63.9 t80 -94.66 -59.91 1.82 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.536 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 3.1 m -62.35 -16.52 16.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.566 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 178' ' ' ALA . . . . . 0.624 ' O ' ' OG1' ' A' ' 182' ' ' THR . . . -95.77 -45.8 6.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.546 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -62.66 -25.52 67.45 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.909 -0.877 . . . . 0.0 110.909 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 180' ' ' VAL . . . . . 0.696 HG13 ' N ' ' A' ' 181' ' ' LEU . 13.7 p -86.78 -51.51 12.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.782 0.325 . . . . 0.0 110.526 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 181' ' ' LEU . . . . . 0.696 ' N ' HG13 ' A' ' 180' ' ' VAL . 43.3 tp -69.64 -47.82 62.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.626 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 182' ' ' THR . . . . . 0.624 ' OG1' ' O ' ' A' ' 178' ' ' ALA . 25.9 m -50.51 -51.62 45.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.529 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -47.28 -45.74 24.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.498 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 184' ' ' SER . . . . . . . . . . . . . 28.2 t -54.39 -37.77 65.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.557 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 63.9 mt -77.72 -21.65 51.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.515 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 21.2 m -73.27 -44.98 58.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.541 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 187' ' ' ILE . . . . . 0.644 HG23 ' N ' ' A' ' 188' ' ' TRP . 12.6 tt -73.59 -51.86 23.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.586 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 188' ' ' TRP . . . . . 0.644 ' N ' HG23 ' A' ' 187' ' ' ILE . 0.2 OUTLIER -30.39 -57.33 0.2 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.542 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 8.0 mmtt -175.4 128.42 0.27 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.654 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 190' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.87 89.61 3.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.5 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 191' ' ' MET . . . . . . . . . . . . . 92.6 mtp -128.67 136.51 50.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.573 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.809 0 CA-C-O 117.904 -1.498 . . . . 0.0 110.94 179.96 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 130' ' ' CYS . . . . . . . . . . . . . 26.5 p . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 131' ' ' GLU . . . . . . . . . . . . . 66.9 mm-40 -64.64 -55.75 18.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.564 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -52.71 167.56 0.14 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.502 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 61.1 tp -57.48 -39.96 77.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.617 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 134' ' ' LYS . . . . . . . . . . . . . 50.5 tttm -177.02 -76.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.583 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 135' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -143.33 149.92 38.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.634 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 136' ' ' ALA . . . . . 0.543 ' C ' HD12 ' B' ' 137' ' ' LEU . . . -144.8 134.85 23.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.481 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 137' ' ' LEU . . . . . 0.711 ' H ' ' NH2' ' B' ' 141' ' ' ARG . 7.0 mp -97.46 133.74 41.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.618 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 138' ' ' ARG . . . . . 0.492 ' O ' ' HB2' ' B' ' 142' ' ' PHE . 34.2 mmt180 -89.63 -9.96 47.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.438 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 139' ' ' ARG . . . . . . . . . . . . . 75.4 ttt180 -61.77 -44.65 96.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.561 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 140' ' ' HIS . . . . . 0.692 ' O ' ' N ' ' B' ' 143' ' ' LEU . 43.0 t60 -79.56 -65.02 1.05 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.545 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 141' ' ' ARG . . . . . 0.711 ' NH2' ' H ' ' B' ' 137' ' ' LEU . 1.2 mpp_? -34.9 -31.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.444 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 142' ' ' PHE . . . . . 0.544 ' N ' ' O ' ' B' ' 140' ' ' HIS . 12.3 m-85 -93.06 -29.13 15.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.504 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 143' ' ' LEU . . . . . 0.692 ' N ' ' O ' ' B' ' 140' ' ' HIS . 33.7 tp -58.75 -34.39 71.33 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.595 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 144' ' ' TRP . . . . . 0.475 ' O ' ' C ' ' B' ' 145' ' ' GLN . 59.7 t-105 -85.63 -55.76 3.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.655 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 145' ' ' GLN . . . . . 0.475 ' C ' ' O ' ' B' ' 144' ' ' TRP . 5.1 tm0? -33.82 -71.49 0.06 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.574 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 146' ' ' ARG . . . . . . . . . . . . . 67.0 ttt180 -93.93 117.67 30.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.661 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 147' ' ' ARG . . . . . . . . . . . . . 43.8 ttm180 -155.53 108.54 2.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.52 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 148' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -72.03 -39.36 69.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.619 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 85.3 mtm-85 -109.31 119.31 39.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.549 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 150' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.476 0 CA-C-O 117.989 -1.005 . . . . 0.0 110.572 -179.989 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.1 ptt? . . . . . 0 N--CA 1.491 1.608 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.941 ' OD1' ' N ' ' A' ' 3' ' ' GLY . 58.4 p-10 -55.85 -55.9 26.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.624 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.941 ' N ' ' OD1' ' A' ' 2' ' ' ASP . . . 83.9 -66.96 3.81 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.984 -0.847 . . . . 0.0 110.984 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 59.5 m -147.08 -23.71 0.4 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.852 0.358 . . . . 0.0 110.531 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 147.69 -179.33 24.67 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.969 ' O ' ' HB3' ' A' ' 7' ' ' GLN . 5.8 tp10 -121.11 107.34 12.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.773 0.32 . . . . 0.0 110.525 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.969 ' HB3' ' O ' ' A' ' 6' ' ' GLU . 29.6 tp60 98.48 58.81 0.0 OUTLIER Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.516 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.931 ' O ' ' O ' ' A' ' 9' ' ' ARG . 50.4 Cg_exo -48.34 163.05 0.27 Allowed 'Trans proline' 0 C--N 1.304 -1.765 0 C-N-CA 122.831 2.354 . . . . 0.0 112.04 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.931 ' O ' ' O ' ' A' ' 8' ' ' PRO . 29.1 mtp180 -13.01 147.3 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.328 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.674 ' O ' ' C ' ' A' ' 11' ' ' GLY . . . 176.32 0.41 0.03 OUTLIER Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.136 -0.785 . . . . 0.0 111.136 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.674 ' C ' ' O ' ' A' ' 10' ' ' GLY . . . -3.9 74.12 0.0 OUTLIER Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.657 ' N ' ' O ' ' A' ' 10' ' ' GLY . . . -147.54 -73.15 0.01 OUTLIER Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.914 ' O ' ' N ' ' A' ' 15' ' ' SER . 54.4 Cg_exo -46.86 -63.3 0.34 Allowed 'Trans proline' 0 C--N 1.305 -1.739 0 C-N-CA 122.805 2.337 . . . . 0.0 112.246 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.512 ' O ' ' HG2' ' A' ' 153' ' ' GLN . 30.4 p -33.31 -12.99 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.557 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.95 ' O ' HD12 ' A' ' 19' ' ' ILE . 1.3 p 44.1 72.44 0.19 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.542 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 36.2 m -92.31 -21.3 20.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.617 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.1 mm-40 -93.67 -51.12 5.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.612 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -52.33 -36.99 54.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.656 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.95 HD12 ' O ' ' A' ' 15' ' ' SER . 81.8 mt -71.81 -49.17 47.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.654 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.445 ' SD ' ' C ' ' A' ' 20' ' ' MET . 2.1 tmt? -59.25 -36.4 75.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.807 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -68.04 -42.78 80.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.747 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 84.7 m -73.03 -16.46 61.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.665 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -72.31 -54.54 7.72 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.74 -11.04 59.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.733 0.302 . . . . 0.0 110.67 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.666 ' C ' HD23 ' A' ' 25' ' ' LEU . 5.9 tt -86.49 -77.19 0.32 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.624 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.518 ' C ' ' O ' ' A' ' 25' ' ' LEU . 49.4 tp -30.37 -63.88 0.13 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.598 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.7 tp -53.02 -55.86 20.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.592 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.426 ' O ' ' OE1' ' A' ' 28' ' ' GLN . 7.5 tp-100 -49.21 -17.99 0.3 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.569 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.524 ' O ' ' N ' ' A' ' 31' ' ' ILE . . . -88.6 -72.03 1.27 Allowed Glycine 0 CA--C 1.523 0.578 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -42.7 -18.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.75 0.31 . . . . 0.0 110.506 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.524 ' N ' ' O ' ' A' ' 29' ' ' GLY . 87.0 mt -77.02 -68.76 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.577 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -79.17 29.8 0.22 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.572 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.41 ' H ' ' C ' ' A' ' 31' ' ' ILE . 68.4 t0 -112.84 -50.95 2.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.54 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 -91.31 -26.83 18.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.582 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.47 ' CB ' HD22 ' A' ' 122' ' ' LEU . . . -99.17 -12.98 19.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.574 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.534 ' O ' ' N ' ' A' ' 38' ' ' MET . . . -65.22 -35.6 91.82 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 41.99 -91.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.735 0.302 . . . . 0.0 110.514 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.534 ' N ' ' O ' ' A' ' 36' ' ' GLY . 12.1 ptp -138.65 145.58 40.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.559 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 156.02 -124.09 1.42 Allowed Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.69 -9.0 71.26 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -78.58 -31.51 47.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.761 0.315 . . . . 0.0 110.571 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.543 ' N ' ' HD3' ' A' ' 43' ' ' PRO . . . -165.77 54.94 0.36 Allowed Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.558 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.543 ' HD3' ' N ' ' A' ' 42' ' ' ALA . 51.0 Cg_exo -48.45 156.23 1.85 Allowed 'Trans proline' 0 C--N 1.305 -1.742 0 C-N-CA 122.807 2.338 . . . . 0.0 112.124 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.479 ' CD ' HD11 ' A' ' 125' ' ' LEU . 28.7 mt-10 -94.06 -10.76 32.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.511 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 1.031 HD22 ' N ' ' A' ' 45' ' ' LEU . 0.4 OUTLIER -102.73 64.62 0.88 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.544 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.801 ' O ' ' CB ' ' A' ' 47' ' ' LEU . . . -71.95 137.57 47.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.573 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.801 ' CB ' ' O ' ' A' ' 46' ' ' ALA . 35.2 tp 112.49 82.45 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.57 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -175.92 71.16 0.26 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.634 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.709 ' O ' ' O ' ' A' ' 50' ' ' VAL . 50.7 Cg_exo -49.16 158.47 1.42 Allowed 'Trans proline' 0 C--N 1.305 -1.734 0 C-N-CA 122.771 2.314 . . . . 0.0 112.098 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.709 ' O ' ' O ' ' A' ' 49' ' ' PRO . 2.3 m -33.16 167.72 0.01 OUTLIER Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.502 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.654 ' HD2' ' HB ' ' A' ' 50' ' ' VAL . 36.7 Cg_endo -68.63 115.46 3.93 Favored 'Trans proline' 0 C--N 1.305 -1.729 0 C-N-CA 122.795 2.33 . . . . 0.0 112.08 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 93.6 mm-40 -68.64 -45.53 71.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.599 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.437 ' OD1' ' N ' ' A' ' 54' ' ' ALA . 41.6 t0 -154.72 165.88 35.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.534 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.437 ' N ' ' OD1' ' A' ' 53' ' ' ASP . . . -82.48 -3.57 56.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.554 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 38.7 t -57.63 -40.05 78.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.516 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -81.37 -33.76 32.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.525 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 58.8 mmtt -50.69 -54.6 21.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.609 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 30.5 ttpt -60.14 -47.48 85.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.558 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.641 ' O ' HD23 ' A' ' 59' ' ' LEU . 0.9 OUTLIER -62.14 -26.39 68.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.563 179.944 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.7 t -71.3 -35.53 71.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.512 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -63.64 -31.82 73.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.635 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.442 ' O ' HG22 ' A' ' 66' ' ' ILE . 92.7 m -64.18 -37.89 89.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.557 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.485 ' N ' HD12 ' A' ' 63' ' ' LEU . 8.9 mp -75.27 -24.66 57.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.662 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -84.28 -36.63 22.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.577 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.441 ' O ' ' OE2' ' A' ' 69' ' ' GLU . 99.7 mtt180 -68.43 -44.48 74.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.592 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.442 HG22 ' O ' ' A' ' 62' ' ' CYS . 20.7 tt -76.6 -34.99 24.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.542 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.426 ' O ' ' CB ' ' A' ' 71' ' ' ASP . . . -61.01 -45.36 96.77 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.441 ' OD1' ' O ' ' A' ' 68' ' ' ASP . 68.3 t0 -62.84 -34.27 76.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.667 0.27 . . . . 0.0 110.525 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.551 ' OE1' ' N ' ' A' ' 69' ' ' GLU . 0.3 OUTLIER -79.63 -58.49 3.16 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.597 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.19 -43.05 74.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.552 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.426 ' CB ' ' O ' ' A' ' 67' ' ' GLY . 38.9 t70 -65.07 -8.72 17.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.593 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.6 t -96.44 7.08 47.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.565 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -93.0 111.42 23.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.567 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 98.0 mmm -68.26 -11.15 58.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.585 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -80.4 -67.23 0.79 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.587 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 7.5 tp -59.86 -40.26 87.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.569 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 8.8 tm0? -61.83 -37.88 86.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.587 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 71.3 ttt180 -68.51 -44.98 73.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.568 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.485 ' SD ' HG23 ' A' ' 182' ' ' THR . 73.8 mtp -54.42 -43.92 71.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.575 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.644 ' O ' HG12 ' A' ' 83' ' ' VAL . 84.1 mt -62.42 -23.68 32.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.61 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -86.04 -18.74 31.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.526 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -86.37 -15.52 40.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.585 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.881 ' O ' HG13 ' A' ' 83' ' ' VAL . 7.4 p -89.36 82.89 2.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.562 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.413 ' O ' ' O ' ' A' ' 83' ' ' VAL . 53.7 p-10 -40.81 162.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.531 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 64.1 p -119.51 119.66 34.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.599 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 55.7 p-10 -148.24 -0.85 0.57 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.535 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.682 ' O ' HG12 ' A' ' 91' ' ' VAL . 34.1 t -175.31 87.79 0.3 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.548 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.507 ' O ' ' CB ' ' A' ' 92' ' ' PHE . 35.2 Cg_endo -67.89 -16.47 45.67 Favored 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.772 2.315 . . . . 0.0 112.11 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 15.0 ptt-85 -85.15 -35.12 21.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.497 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -78.16 -58.07 3.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.507 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.682 HG12 ' O ' ' A' ' 87' ' ' SER . 9.5 p -56.96 -51.55 67.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.524 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.661 ' N ' HG13 ' A' ' 91' ' ' VAL . 85.6 t80 -45.75 -52.57 10.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.517 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -67.63 -30.51 70.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.541 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.75 ' NE ' ' HE1' ' A' ' 188' ' ' TRP . 20.1 ttp180 -71.32 -57.81 4.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.597 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.622 HG23 ' N ' ' A' ' 96' ' ' ALA . 28.4 m -59.67 -48.13 88.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.52 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.622 ' N ' HG23 ' A' ' 95' ' ' VAL . . . -54.93 -27.69 45.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.573 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -81.92 -38.87 24.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.513 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.41 ' O ' ' C ' ' A' ' 99' ' ' MET . 99.8 m-20 -63.09 -38.8 92.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.54 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' MET . . . . . 0.535 ' HB2' HH21 ' A' ' 109' ' ' ARG . 64.1 mtt -38.24 -69.0 0.13 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.548 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.604 ' CD2' ' O ' ' A' ' 100' ' ' PHE . 16.6 p90 -111.17 57.55 0.62 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.56 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.3 t -74.68 -26.73 60.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.665 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.532 ' O ' ' C ' ' A' ' 103' ' ' GLY . 54.9 p-10 -155.67 -18.37 0.11 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.508 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.532 ' C ' ' O ' ' A' ' 102' ' ' ASP . . . -26.25 -80.73 0.01 OUTLIER Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ASN . . . . . 0.606 ' O ' ' CG ' ' A' ' 105' ' ' PHE . 28.5 t-20 174.53 34.34 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.789 0.328 . . . . 0.0 110.631 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.606 ' CG ' ' O ' ' A' ' 104' ' ' ASN . 28.9 p90 42.72 29.09 0.15 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.533 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.519 ' O ' ' HB2' ' A' ' 107' ' ' TRP . 28.0 p30 -52.07 -110.51 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.566 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' TRP . . . . . 0.542 ' NE1' HG21 ' A' ' 110' ' ' VAL . 6.6 t90 174.6 -26.15 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.554 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.59 ' O ' HG12 ' A' ' 111' ' ' VAL . . . -50.2 -42.1 40.2 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.535 HH21 ' HB2' ' A' ' 99' ' ' MET . 0.0 OUTLIER -48.04 -26.1 1.68 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.858 0.361 . . . . 0.0 110.645 179.928 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.542 HG21 ' NE1' ' A' ' 107' ' ' TRP . 37.0 t -52.58 -57.94 3.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.514 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.59 HG12 ' O ' ' A' ' 108' ' ' GLY . 4.7 p -45.29 -46.76 3.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.529 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.581 ' N ' HG13 ' A' ' 111' ' ' VAL . . . -58.16 -34.83 70.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.574 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.669 ' O ' HD23 ' A' ' 113' ' ' LEU . 1.9 tt -57.04 -46.78 82.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.578 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -57.26 -44.03 83.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.538 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 92.6 t80 -68.01 -43.46 78.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.538 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.452 ' CE2' HG21 ' A' ' 95' ' ' VAL . 92.7 t80 -59.23 -41.7 89.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.504 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.509 ' O ' HG23 ' A' ' 121' ' ' VAL . . . -71.13 -32.45 69.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.583 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 4.9 t -48.75 -44.09 38.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.561 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.814 ' O ' ' CB ' ' A' ' 123' ' ' LYS . 55.1 mmtt -60.09 -43.49 95.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.529 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 52.3 mt -68.26 -30.84 69.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.552 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.723 HG13 HG23 ' A' ' 133' ' ' ILE . 55.8 t -77.63 -53.32 14.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.474 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.47 HD22 ' CB ' ' A' ' 35' ' ' ALA . 71.0 mt -73.03 -40.74 64.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.546 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.814 ' CB ' ' O ' ' A' ' 119' ' ' LYS . 39.5 tptt -58.36 -41.21 84.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.507 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.426 ' O ' ' OG1' ' A' ' 127' ' ' THR . . . -75.69 -20.75 58.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.502 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.479 HD11 ' CD ' ' A' ' 44' ' ' GLU . 15.0 tp -64.39 -30.62 71.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.573 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 36.3 t -84.29 -36.26 22.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.585 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.557 ' O ' ' CB ' ' A' ' 128' ' ' LYS . 41.1 p -54.15 -16.73 2.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.471 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.557 ' CB ' ' O ' ' A' ' 127' ' ' THR . 72.3 tttt 84.84 46.62 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.531 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.553 ' CG2' ' OG1' ' A' ' 127' ' ' THR . 0.2 OUTLIER -148.3 87.56 5.64 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.519 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 130' ' ' PRO . . . . . 0.467 ' HB3' ' OE1' ' A' ' 44' ' ' GLU . 38.3 Cg_endo -69.98 -15.04 36.12 Favored 'Trans proline' 0 C--N 1.305 -1.734 0 C-N-CA 122.782 2.321 . . . . 0.0 112.027 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 131' ' ' GLU . . . . . 0.761 ' O ' HG23 ' A' ' 135' ' ' THR . 80.9 tt0 -64.07 -41.59 97.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.467 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.54 ' HA ' ' OG1' ' A' ' 135' ' ' THR . 8.5 mp -60.5 -34.16 73.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.549 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.723 HG23 HG13 ' A' ' 121' ' ' VAL . 21.0 mm -56.85 -50.07 76.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.535 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 83.9 mtp180 -69.18 -34.87 75.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.505 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 135' ' ' THR . . . . . 0.761 HG23 ' O ' ' A' ' 131' ' ' GLU . 70.8 p -67.19 -31.94 72.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.546 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.423 HG21 ' CG2' ' A' ' 121' ' ' VAL . 45.7 mt -69.67 -58.83 4.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.519 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 71.9 mtp -46.53 -25.53 0.7 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.527 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -68.61 -40.49 85.9 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 139' ' ' TRP . . . . . 0.509 ' CD1' ' N ' ' A' ' 139' ' ' TRP . 8.5 m0 -66.38 -24.47 66.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.78 0.324 . . . . 0.0 110.54 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 140' ' ' THR . . . . . 0.511 ' OG1' ' N ' ' A' ' 141' ' ' LEU . 13.4 p -75.49 -65.83 0.85 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.531 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.511 ' N ' ' OG1' ' A' ' 140' ' ' THR . 53.1 mt -51.87 -33.57 37.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.587 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -65.71 -51.05 62.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.57 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 143' ' ' PHE . . . . . 0.492 ' O ' ' HB2' ' A' ' 147' ' ' ARG . 37.1 t80 -66.9 -38.89 87.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.499 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.578 HD12 ' HB2' ' A' ' 148' ' ' LEU . 2.0 tp -71.07 -35.46 71.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.58 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 59.0 ttp180 -83.04 -10.64 58.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.616 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -111.98 -4.67 14.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.575 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 147' ' ' ARG . . . . . 1.153 ' O ' ' N ' ' A' ' 149' ' ' LEU . 7.8 mtp180 -142.15 -110.95 0.13 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.636 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 148' ' ' LEU . . . . . 0.814 ' H ' HD22 ' A' ' 148' ' ' LEU . 1.0 OUTLIER -15.38 -27.78 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.604 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 149' ' ' LEU . . . . . 1.153 ' N ' ' O ' ' A' ' 147' ' ' ARG . 57.9 tp -49.01 -56.29 9.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.604 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -63.96 -50.65 59.39 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 151' ' ' TRP . . . . . . . . . . . . . 99.9 m95 -66.24 -55.81 14.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.803 0.335 . . . . 0.0 110.61 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 152' ' ' ILE . . . . . 0.698 ' N ' ' O ' ' A' ' 148' ' ' LEU . 10.5 tt -51.22 -34.45 14.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.589 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 153' ' ' GLN . . . . . 0.528 ' OE1' HD11 ' A' ' 149' ' ' LEU . 11.3 mt-30 -67.41 -31.33 71.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.543 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -88.96 -4.61 58.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.584 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -97.45 0.83 48.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.562 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 83.65 24.67 49.26 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 89.82 -160.31 28.64 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 158' ' ' TRP . . . . . 0.412 ' CD1' HD11 ' A' ' 152' ' ' ILE . 54.4 m95 -74.02 -5.53 41.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.784 0.326 . . . . 0.0 110.529 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -60.92 -42.52 98.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.538 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -54.39 -32.2 51.84 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 161' ' ' LEU . . . . . 0.585 ' O ' HD23 ' A' ' 161' ' ' LEU . 2.0 tt -62.95 -54.0 45.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.772 0.32 . . . . 0.0 110.584 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 48.3 tp -67.12 -30.98 71.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.577 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 21.2 t -66.84 -26.31 66.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.521 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 93.5 t80 -76.6 -42.68 41.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.571 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -71.62 48.15 0.14 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.478 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -131.34 39.32 1.79 Allowed Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 167' ' ' THR . . . . . 1.037 ' OG1' ' HD2' ' A' ' 168' ' ' PRO . 0.6 OUTLIER -108.66 179.5 0.84 Allowed Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 120.832 0.348 . . . . 0.0 110.597 179.901 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 168' ' ' PRO . . . . . 1.037 ' HD2' ' OG1' ' A' ' 167' ' ' THR . 47.2 Cg_endo -72.31 -146.47 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.743 0 C-N-CA 122.862 2.375 . . . . 0.0 112.069 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 169' ' ' THR . . . . . 0.594 ' C ' ' O ' ' A' ' 168' ' ' PRO . 67.2 p -22.84 102.2 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.507 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 170' ' ' TRP . . . . . 0.688 ' O ' HG22 ' A' ' 173' ' ' VAL . 34.3 p90 -65.33 -18.61 65.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.563 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 171' ' ' GLN . . . . . . . . . . . . . 4.5 pp0? -46.96 -14.2 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.598 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 172' ' ' THR . . . . . 0.52 ' O ' HG22 ' A' ' 175' ' ' ILE . 4.8 m -86.93 -29.55 22.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.587 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 173' ' ' VAL . . . . . 0.688 HG22 ' O ' ' A' ' 170' ' ' TRP . 2.0 m -72.15 -45.67 61.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.551 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 174' ' ' THR . . . . . 0.564 ' N ' ' CG2' ' A' ' 173' ' ' VAL . 24.9 m -64.58 -24.92 67.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.578 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 175' ' ' ILE . . . . . 0.52 HG22 ' O ' ' A' ' 172' ' ' THR . 1.7 tt -85.82 -7.38 10.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.551 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 176' ' ' PHE . . . . . 0.488 ' O ' HG12 ' A' ' 180' ' ' VAL . 63.8 t80 -94.7 -60.04 1.79 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.593 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 3.2 m -62.13 -16.71 16.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.597 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 178' ' ' ALA . . . . . 0.624 ' O ' ' OG1' ' A' ' 182' ' ' THR . . . -95.51 -45.9 6.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.606 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -62.36 -26.19 67.67 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 180' ' ' VAL . . . . . 0.698 HG13 ' N ' ' A' ' 181' ' ' LEU . 13.8 p -86.21 -51.73 12.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.848 0.356 . . . . 0.0 110.606 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 181' ' ' LEU . . . . . 0.698 ' N ' HG13 ' A' ' 180' ' ' VAL . 43.5 tp -69.34 -47.97 62.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.543 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 182' ' ' THR . . . . . 0.624 ' OG1' ' O ' ' A' ' 178' ' ' ALA . 25.4 m -50.47 -51.43 47.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.619 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -47.31 -45.68 24.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.566 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 184' ' ' SER . . . . . . . . . . . . . 27.6 t -54.48 -37.93 65.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.494 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 60.3 mt -77.56 -21.76 52.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.613 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 21.5 m -73.22 -44.84 58.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.574 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 187' ' ' ILE . . . . . 0.639 HG23 ' N ' ' A' ' 188' ' ' TRP . 12.5 tt -73.69 -51.7 23.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.547 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 188' ' ' TRP . . . . . 0.75 ' HE1' ' NE ' ' A' ' 94' ' ' ARG . 6.2 t90 -30.72 -56.98 0.21 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.573 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 7.5 mmtt -175.68 128.35 0.25 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.569 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 190' ' ' LYS . . . . . . . . . . . . . 14.7 ptmt -109.95 89.48 3.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.536 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 191' ' ' MET . . . . . . . . . . . . . 84.0 mtp -128.56 136.62 51.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.591 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.763 0 CA-C-O 118.002 -1.443 . . . . 0.0 110.93 -179.994 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 130' ' ' CYS . . . . . 0.511 ' O ' ' SG ' ' B' ' 130' ' ' CYS . 2.1 t . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 131' ' ' GLU . . . . . 0.714 ' O ' ' O ' ' B' ' 132' ' ' ALA . 84.7 tt0 -103.67 149.66 24.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.559 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 132' ' ' ALA . . . . . 0.714 ' O ' ' O ' ' B' ' 131' ' ' GLU . . . 44.66 164.76 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.641 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 51.2 mt -92.45 104.65 16.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.53 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 134' ' ' LYS . . . . . . . . . . . . . 36.6 ttpt -59.96 -42.85 94.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.61 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 135' ' ' LYS . . . . . 0.586 ' O ' ' HB3' ' B' ' 136' ' ' ALA . 99.8 mttt -92.05 154.78 18.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.572 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 136' ' ' ALA . . . . . 0.586 ' HB3' ' O ' ' B' ' 135' ' ' LYS . . . 73.58 45.44 0.25 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.546 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 137' ' ' LEU . . . . . 0.401 ' C ' ' NH2' ' B' ' 141' ' ' ARG . 66.5 mt -81.99 -162.57 0.56 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.47 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 138' ' ' ARG . . . . . 0.493 ' N ' ' NH2' ' B' ' 141' ' ' ARG . 17.7 ptm180 -68.24 -5.95 21.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.572 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 139' ' ' ARG . . . . . . . . . . . . . 90.6 mtm180 -62.78 -44.78 95.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.557 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 140' ' ' HIS . . . . . 0.761 ' O ' ' N ' ' B' ' 143' ' ' LEU . 71.2 m80 -79.06 -66.7 0.83 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.471 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 141' ' ' ARG . . . . . 0.493 ' NH2' ' N ' ' B' ' 138' ' ' ARG . 94.0 mtm-85 -32.43 -31.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.473 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 142' ' ' PHE . . . . . 0.602 ' N ' ' O ' ' B' ' 140' ' ' HIS . 22.8 m-85 -93.6 -28.42 16.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.422 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 143' ' ' LEU . . . . . 0.761 ' N ' ' O ' ' B' ' 140' ' ' HIS . 34.9 tp -59.94 -33.21 71.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.568 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 144' ' ' TRP . . . . . 0.475 ' O ' ' C ' ' B' ' 145' ' ' GLN . 65.2 t-105 -87.24 -54.92 4.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.586 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 145' ' ' GLN . . . . . 0.539 ' HG2' ' H ' ' B' ' 147' ' ' ARG . 46.8 tt0 -34.28 -70.98 0.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.517 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 146' ' ' ARG . . . . . 0.486 ' NE ' ' O ' ' B' ' 143' ' ' LEU . 99.8 mtt180 46.17 21.72 0.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.539 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 147' ' ' ARG . . . . . 0.539 ' H ' ' HG2' ' B' ' 145' ' ' GLN . 29.3 mmt180 46.86 22.1 0.18 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.58 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 148' ' ' GLN . . . . . . . . . . . . . 59.2 tp60 -77.92 137.06 38.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.565 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 44.1 ttm180 -138.76 138.98 38.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.512 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 150' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.482 0 CA-C-O 118.049 -0.977 . . . . 0.0 110.522 -179.939 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.3 ptt? . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.825 ' OD1' ' N ' ' A' ' 3' ' ' GLY . 49.3 p-10 -52.89 -64.57 0.77 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.506 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.825 ' N ' ' OD1' ' A' ' 2' ' ' ASP . . . 92.43 -42.22 2.72 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.5 m -149.88 -41.6 0.14 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.738 0.304 . . . . 0.0 110.615 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 179.13 -135.89 2.69 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 1.036 ' O ' ' HB3' ' A' ' 7' ' ' GLN . 8.4 tp10 -134.8 103.84 5.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.733 0.301 . . . . 0.0 110.62 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 1.036 ' HB3' ' O ' ' A' ' 6' ' ' GLU . 6.9 tt0 106.33 37.71 0.0 OUTLIER Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.65 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.729 ' CD ' ' H ' ' A' ' 7' ' ' GLN . 49.6 Cg_endo -72.67 104.12 1.68 Allowed 'Trans proline' 0 C--N 1.306 -1.71 0 C-N-CA 122.722 2.281 . . . . 0.0 112.074 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 47.6 mtp180 -62.29 151.33 36.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.54 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 1.311 ' O ' ' N ' ' A' ' 12' ' ' GLY . . . -109.8 -36.43 2.04 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.67 ' C ' ' O ' ' A' ' 10' ' ' GLY . . . -9.0 -25.34 0.0 OUTLIER Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 1.311 ' N ' ' O ' ' A' ' 10' ' ' GLY . . . -124.01 111.86 1.71 Allowed Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.581 ' O ' ' C ' ' A' ' 14' ' ' THR . 51.7 Cg_exo -47.78 -76.65 0.03 OUTLIER 'Trans proline' 0 C--N 1.305 -1.733 0 C-N-CA 122.812 2.341 . . . . 0.0 112.075 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.581 ' C ' ' O ' ' A' ' 13' ' ' PRO . 34.5 p -23.82 90.69 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.674 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.766 ' O ' ' CD1' ' A' ' 19' ' ' ILE . 3.3 p -117.92 -150.07 0.45 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.441 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.422 ' H ' ' HB2' ' A' ' 15' ' ' SER . 23.3 m -95.52 -15.41 22.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.416 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 69.2 mm-40 -78.18 -49.65 13.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.539 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.483 ' CD ' ' O ' ' A' ' 18' ' ' GLN . 3.5 tm0? -66.63 -23.6 66.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.566 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.766 ' CD1' ' O ' ' A' ' 15' ' ' SER . 72.4 mt -81.52 -55.2 8.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.641 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.457 ' SD ' ' C ' ' A' ' 20' ' ' MET . 12.9 tmm? -53.11 -36.79 61.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.607 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 64.3 mmtt -67.15 -46.08 75.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.552 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.436 HG22 ' O ' ' A' ' 22' ' ' THR . 32.9 m -72.39 -8.1 53.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.528 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -79.41 -53.91 4.21 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.878 ' O ' ' HB3' ' A' ' 28' ' ' GLN . . . -78.33 -9.37 59.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.767 0.317 . . . . 0.0 110.473 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.612 ' C ' HD23 ' A' ' 25' ' ' LEU . 4.7 tt -86.62 -80.82 0.23 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.58 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.549 ' C ' ' O ' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -26.83 -65.69 0.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.563 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.5 ' N ' HD12 ' A' ' 27' ' ' LEU . 10.9 mp -51.25 -57.78 7.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.654 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.878 ' HB3' ' O ' ' A' ' 24' ' ' ALA . 0.4 OUTLIER -47.64 -17.78 0.11 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.536 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.541 ' O ' ' N ' ' A' ' 31' ' ' ILE . . . -88.81 -72.8 1.28 Allowed Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 44.8 t80 -42.17 -18.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.787 0.327 . . . . 0.0 110.535 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.541 ' N ' ' O ' ' A' ' 29' ' ' GLY . 90.8 mt -76.97 -69.2 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.547 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.55 ' CG ' HD23 ' A' ' 45' ' ' LEU . 5.4 pp0? -78.88 29.98 0.2 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.554 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.415 ' H ' ' C ' ' A' ' 31' ' ' ILE . 67.9 t0 -112.96 -50.96 2.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.598 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.421 ' NH2' ' OD2' ' A' ' 71' ' ' ASP . 16.0 ptm180 -91.4 -26.86 18.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.538 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.467 ' CB ' HD22 ' A' ' 122' ' ' LEU . . . -99.11 -12.96 20.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.603 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -89.55 94.71 2.02 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.911 -0.875 . . . . 0.0 110.911 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -143.5 -49.54 0.31 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.761 0.315 . . . . 0.0 110.548 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 77.7 mtm -85.8 146.26 26.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.545 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 81.42 -114.25 3.79 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.845 -0.902 . . . . 0.0 110.845 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 97.85 -15.73 61.31 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -85.92 -10.82 54.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.761 0.315 . . . . 0.0 110.572 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -160.58 72.59 2.87 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.509 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -69.49 133.09 25.21 Favored 'Trans proline' 0 C--N 1.305 -1.762 0 C-N-CA 122.792 2.328 . . . . 0.0 112.061 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.676 ' OE1' ' N ' ' A' ' 44' ' ' GLU . 40.5 mp0 -74.8 -14.98 60.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.612 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.55 HD23 ' CG ' ' A' ' 32' ' ' GLN . 25.2 tp -90.82 63.99 5.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.533 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -78.16 133.95 37.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.529 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.404 ' O ' ' HB3' ' A' ' 48' ' ' ASP . 0.8 OUTLIER -172.24 -73.87 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.53 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.404 ' HB3' ' O ' ' A' ' 47' ' ' LEU . 8.6 p30 170.57 66.08 0.02 OUTLIER Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.589 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo -70.36 108.89 2.29 Favored 'Trans proline' 0 C--N 1.304 -1.795 0 C-N-CA 122.791 2.327 . . . . 0.0 112.1 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 27.2 m -148.61 139.72 13.8 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.481 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -49.5 -59.45 1.22 Allowed 'Trans proline' 0 C--N 1.306 -1.698 0 C-N-CA 122.766 2.311 . . . . 0.0 112.089 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 52.39 -127.17 2.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.604 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -79.38 142.28 36.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.598 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -80.76 -1.43 42.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.568 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 98.3 p -58.28 -40.28 81.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.597 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -80.46 -34.14 36.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.57 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -50.61 -54.77 20.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.554 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 30.4 ttpt -60.04 -47.61 85.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.609 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.642 ' O ' HD23 ' A' ' 59' ' ' LEU . 0.9 OUTLIER -62.01 -26.47 68.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.64 179.907 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.5 t -71.13 -35.53 71.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.642 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -63.66 -31.83 73.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.563 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.429 ' O ' HG22 ' A' ' 66' ' ' ILE . 99.8 m -64.12 -37.95 89.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.6 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.472 ' N ' HD12 ' A' ' 63' ' ' LEU . 9.5 mp -75.17 -24.83 57.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.511 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -84.12 -36.62 22.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.663 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.429 ' O ' ' OE2' ' A' ' 69' ' ' GLU . 95.0 mtt180 -68.56 -44.43 74.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.588 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.429 HG22 ' O ' ' A' ' 62' ' ' CYS . 21.0 tt -76.49 -35.08 25.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.567 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.425 ' O ' ' CB ' ' A' ' 71' ' ' ASP . . . -61.14 -45.21 97.01 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.437 ' OD1' ' O ' ' A' ' 68' ' ' ASP . 68.2 t0 -62.87 -34.34 77.18 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.764 0.316 . . . . 0.0 110.495 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.534 ' OE1' ' N ' ' A' ' 69' ' ' GLU . 0.3 OUTLIER -79.65 -58.39 3.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.604 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.25 -43.03 74.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.568 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.425 ' CB ' ' O ' ' A' ' 67' ' ' GLY . 53.7 t0 -65.02 -8.78 17.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.59 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.6 t -96.44 7.09 47.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.554 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -92.98 111.46 23.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.595 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 64.3 mtt -68.28 -11.3 59.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.542 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -80.27 -67.3 0.78 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.59 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 7.6 tp -59.76 -40.36 87.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.552 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 10.8 tm0? -61.69 -38.03 86.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.521 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 76.1 ttt180 -68.52 -44.89 73.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.51 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.483 ' SD ' HG23 ' A' ' 182' ' ' THR . 73.2 mtp -54.57 -43.88 72.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.529 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.641 ' O ' HG12 ' A' ' 83' ' ' VAL . 82.1 mt -62.39 -23.68 32.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.582 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -86.04 -18.69 31.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.584 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -86.51 -15.35 40.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.538 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.875 ' O ' HG13 ' A' ' 83' ' ' VAL . 7.8 p -89.47 82.74 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.623 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.422 ' O ' ' O ' ' A' ' 83' ' ' VAL . 56.9 p-10 -40.51 162.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.594 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 37.9 p -119.79 119.77 34.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.613 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -148.53 -0.59 0.55 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.48 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.67 ' O ' HG12 ' A' ' 91' ' ' VAL . 46.0 t -175.4 87.45 0.3 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.544 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.496 ' O ' ' CB ' ' A' ' 92' ' ' PHE . 35.0 Cg_endo -67.85 -15.74 44.51 Favored 'Trans proline' 0 C--N 1.306 -1.685 0 C-N-CA 122.794 2.33 . . . . 0.0 112.12 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 33.9 ptt-85 -85.4 -35.96 20.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.548 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -77.55 -58.58 3.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.533 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.67 HG12 ' O ' ' A' ' 87' ' ' SER . 10.5 p -56.05 -51.87 56.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.543 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.666 ' N ' HG13 ' A' ' 91' ' ' VAL . 84.5 t80 -45.66 -52.65 10.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.454 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -67.61 -30.56 70.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.586 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 10.8 tpp85 -71.33 -57.96 3.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.549 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.625 HG23 ' N ' ' A' ' 96' ' ' ALA . 27.9 m -59.36 -48.2 87.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.493 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.625 ' N ' HG23 ' A' ' 95' ' ' VAL . . . -54.98 -27.6 45.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.614 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -81.96 -38.89 24.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.502 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.41 ' O ' ' C ' ' A' ' 99' ' ' MET . 99.7 m-20 -63.15 -38.67 92.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.554 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' MET . . . . . 0.531 ' HB2' HH21 ' A' ' 109' ' ' ARG . 64.7 mtt -38.45 -68.87 0.14 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.539 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.597 ' CD2' ' O ' ' A' ' 100' ' ' PHE . 17.3 p90 -111.23 57.6 0.62 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.623 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.2 t -74.71 -26.78 60.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.587 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.535 ' O ' ' C ' ' A' ' 103' ' ' GLY . 55.5 p-10 -155.58 -18.43 0.11 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.593 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.535 ' C ' ' O ' ' A' ' 102' ' ' ASP . . . -26.3 -80.68 0.01 OUTLIER Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ASN . . . . . 0.606 ' O ' ' CG ' ' A' ' 105' ' ' PHE . 11.5 m-20 174.49 34.36 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.821 0.343 . . . . 0.0 110.598 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.606 ' CG ' ' O ' ' A' ' 104' ' ' ASN . 26.6 p90 42.69 29.13 0.15 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.507 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.52 ' CG ' ' H ' ' A' ' 107' ' ' TRP . 28.8 p30 -52.13 -110.49 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.565 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' TRP . . . . . 0.535 ' NE1' HG21 ' A' ' 110' ' ' VAL . 6.4 t90 174.64 -26.19 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.576 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.588 ' O ' HG12 ' A' ' 111' ' ' VAL . . . -50.11 -42.14 39.51 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.876 -0.89 . . . . 0.0 110.876 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.531 HH21 ' HB2' ' A' ' 99' ' ' MET . 0.0 OUTLIER -48.14 -26.01 1.71 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.782 0.325 . . . . 0.0 110.58 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.535 HG21 ' NE1' ' A' ' 107' ' ' TRP . 35.0 t -52.63 -57.89 3.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.583 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.588 HG12 ' O ' ' A' ' 108' ' ' GLY . 4.7 p -45.19 -46.83 3.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.573 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.58 ' N ' HG13 ' A' ' 111' ' ' VAL . . . -57.97 -35.22 70.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.525 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.669 ' O ' HD23 ' A' ' 113' ' ' LEU . 1.9 tt -56.8 -46.79 81.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.498 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.451 ' CZ ' ' CG1' ' A' ' 110' ' ' VAL . 9.8 m-85 -57.18 -44.05 83.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.556 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 92.5 t80 -68.02 -43.67 78.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.499 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.458 ' CE2' HG21 ' A' ' 95' ' ' VAL . 93.2 t80 -59.01 -41.94 88.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.509 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.508 ' O ' HG23 ' A' ' 121' ' ' VAL . . . -70.88 -32.59 69.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.566 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 4.8 t -48.63 -44.31 37.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.516 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.821 ' O ' ' CB ' ' A' ' 123' ' ' LYS . 54.5 mmtt -59.91 -43.57 94.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.545 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 54.0 mt -68.11 -31.22 70.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.517 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.721 HG13 HG23 ' A' ' 133' ' ' ILE . 54.6 t -77.16 -53.58 14.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.545 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.467 HD22 ' CB ' ' A' ' 35' ' ' ALA . 70.2 mt -72.87 -40.9 65.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.558 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.821 ' CB ' ' O ' ' A' ' 119' ' ' LYS . 88.8 tttt -58.12 -40.98 82.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.612 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -75.83 -21.66 57.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.594 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 42.5 tp -63.18 -32.2 73.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.613 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' CYS . . . . . 0.461 ' SG ' ' N ' ' A' ' 127' ' ' THR . 14.4 p -83.53 -35.26 24.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.616 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.765 ' O ' ' HB2' ' A' ' 128' ' ' LYS . 55.3 m -53.81 -19.07 3.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.584 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.765 ' HB2' ' O ' ' A' ' 127' ' ' THR . 50.8 mtpt 87.52 45.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.625 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 129' ' ' VAL . 14.4 m -148.3 88.46 5.4 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.589 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 130' ' ' PRO . . . . . 0.4 ' HA ' HG12 ' A' ' 133' ' ' ILE . 39.8 Cg_endo -70.21 -14.72 34.99 Favored 'Trans proline' 0 C--N 1.306 -1.678 0 C-N-CA 122.783 2.322 . . . . 0.0 112.069 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 131' ' ' GLU . . . . . 0.739 ' O ' HG23 ' A' ' 135' ' ' THR . 81.1 tt0 -64.11 -41.66 97.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.563 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.549 ' HA ' ' OG1' ' A' ' 135' ' ' THR . 9.0 mp -60.42 -34.11 73.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.544 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.721 HG23 HG13 ' A' ' 121' ' ' VAL . 21.0 mm -56.81 -50.1 76.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.506 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 89.1 mtm180 -69.17 -34.83 75.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.436 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' THR . . . . . 0.739 HG23 ' O ' ' A' ' 131' ' ' GLU . 62.5 p -67.16 -32.09 72.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.508 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.42 HG21 ' CG2' ' A' ' 121' ' ' VAL . 44.8 mt -69.62 -58.99 4.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.494 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 53.1 ttm -46.35 -25.49 0.65 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.527 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -68.74 -40.48 85.28 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 139' ' ' TRP . . . . . 0.507 ' CD1' ' N ' ' A' ' 139' ' ' TRP . 10.0 m0 -66.31 -24.4 66.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.845 0.355 . . . . 0.0 110.585 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 140' ' ' THR . . . . . 0.47 ' OG1' ' N ' ' A' ' 141' ' ' LEU . 22.5 p -75.54 -65.86 0.85 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.526 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.47 ' N ' ' OG1' ' A' ' 140' ' ' THR . 51.2 mt -51.74 -33.64 35.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.615 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -65.77 -51.01 62.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.537 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 143' ' ' PHE . . . . . 0.431 ' O ' ' HB2' ' A' ' 147' ' ' ARG . 5.7 t80 -66.8 -38.93 87.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.567 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.557 HD12 ' HB2' ' A' ' 148' ' ' LEU . 1.6 tp -70.98 -35.57 72.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.596 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 59.1 ttp180 -83.03 -10.61 58.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.592 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -112.03 -4.67 14.42 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.527 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 147' ' ' ARG . . . . . 1.154 ' O ' ' N ' ' A' ' 149' ' ' LEU . 12.2 mtp180 -142.14 -110.93 0.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.55 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 148' ' ' LEU . . . . . 0.792 ' H ' HD22 ' A' ' 148' ' ' LEU . 1.0 OUTLIER -15.28 -27.81 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.539 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 149' ' ' LEU . . . . . 1.154 ' N ' ' O ' ' A' ' 147' ' ' ARG . 47.1 tp -49.07 -56.36 9.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.541 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -63.91 -50.59 59.88 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 151' ' ' TRP . . . . . . . . . . . . . 8.8 m95 -66.24 -55.82 14.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.79 0.329 . . . . 0.0 110.581 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 152' ' ' ILE . . . . . 0.697 ' N ' ' O ' ' A' ' 148' ' ' LEU . 10.3 tt -51.42 -34.24 15.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.546 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 56.4 tt0 -67.47 -31.23 71.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.593 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -89.25 -4.4 58.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.544 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -97.55 0.74 47.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.536 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 83.77 24.63 48.92 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 89.84 -160.32 28.61 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 158' ' ' TRP . . . . . 0.521 ' CD1' HD11 ' A' ' 152' ' ' ILE . 31.7 m95 -73.99 -5.6 42.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.829 0.347 . . . . 0.0 110.561 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -60.93 -42.42 98.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.578 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -54.37 -32.2 51.74 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 161' ' ' LEU . . . . . 0.58 ' O ' HD23 ' A' ' 161' ' ' LEU . 2.1 tt -63.01 -53.98 45.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.755 0.312 . . . . 0.0 110.547 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 50.4 tp -67.19 -31.0 71.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.532 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 20.8 t -66.83 -26.21 66.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.542 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 91.7 t80 -76.71 -42.66 40.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.565 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -71.58 47.89 0.14 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.574 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -130.84 39.01 1.85 Allowed Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 167' ' ' THR . . . . . 1.004 ' OG1' ' HD2' ' A' ' 168' ' ' PRO . 0.6 OUTLIER -108.39 179.26 0.89 Allowed Pre-proline 0 C--N 1.33 -0.242 0 CA-C-O 120.917 0.389 . . . . 0.0 110.511 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 168' ' ' PRO . . . . . 1.004 ' HD2' ' OG1' ' A' ' 167' ' ' THR . 48.3 Cg_endo -72.5 -145.8 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 122.89 2.393 . . . . 0.0 112.052 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 169' ' ' THR . . . . . 0.589 ' C ' ' O ' ' A' ' 168' ' ' PRO . 18.3 p -23.1 101.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.569 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 170' ' ' TRP . . . . . 0.69 ' O ' HG22 ' A' ' 173' ' ' VAL . 33.3 p90 -64.97 -18.57 65.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.566 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 171' ' ' GLN . . . . . 0.442 ' O ' HD12 ' A' ' 175' ' ' ILE . 0.0 OUTLIER -47.25 -14.07 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.579 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 172' ' ' THR . . . . . 0.471 ' N ' ' O ' ' A' ' 170' ' ' TRP . 5.1 m -87.02 -29.5 21.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.587 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 173' ' ' VAL . . . . . 0.69 HG22 ' O ' ' A' ' 170' ' ' TRP . 2.0 m -72.1 -45.69 61.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.552 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 174' ' ' THR . . . . . 0.567 ' N ' ' CG2' ' A' ' 173' ' ' VAL . 24.9 m -64.52 -24.9 67.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.544 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 175' ' ' ILE . . . . . 0.556 HG22 ' O ' ' A' ' 175' ' ' ILE . 89.1 mt -85.78 -7.48 10.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.502 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 176' ' ' PHE . . . . . 0.486 ' O ' HG12 ' A' ' 180' ' ' VAL . 63.5 t80 -94.74 -59.98 1.8 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.559 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 3.2 m -62.11 -16.78 16.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.554 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 178' ' ' ALA . . . . . 0.623 ' O ' ' OG1' ' A' ' 182' ' ' THR . . . -95.54 -45.89 6.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.568 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -62.28 -26.22 67.57 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 180' ' ' VAL . . . . . 0.699 HG13 ' N ' ' A' ' 181' ' ' LEU . 13.6 p -86.21 -51.72 12.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.779 0.323 . . . . 0.0 110.6 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 181' ' ' LEU . . . . . 0.699 ' N ' HG13 ' A' ' 180' ' ' VAL . 43.2 tp -69.32 -47.98 62.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.598 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 182' ' ' THR . . . . . 0.623 ' OG1' ' O ' ' A' ' 178' ' ' ALA . 25.8 m -50.49 -51.39 47.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.56 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -47.36 -45.71 25.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.58 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 184' ' ' SER . . . . . . . . . . . . . 27.9 t -54.42 -37.92 65.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.596 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 64.0 mt -77.57 -21.74 52.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.595 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 186' ' ' THR . . . . . 0.483 ' O ' ' CG ' ' A' ' 190' ' ' LYS . 90.8 m -73.17 -44.89 59.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.581 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 187' ' ' ILE . . . . . 0.637 HG23 ' N ' ' A' ' 188' ' ' TRP . 12.4 tt -73.7 -51.65 24.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.581 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 188' ' ' TRP . . . . . 0.637 ' N ' HG23 ' A' ' 187' ' ' ILE . 0.2 OUTLIER -30.72 -56.95 0.21 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.563 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 8.0 mmtt -175.76 128.31 0.24 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.597 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 190' ' ' LYS . . . . . 0.483 ' CG ' ' O ' ' A' ' 186' ' ' THR . 42.6 mtmt -109.94 89.6 3.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.508 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 191' ' ' MET . . . . . . . . . . . . . 84.2 mtp -128.59 136.57 50.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.563 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.731 0 CA-C-O 117.981 -1.455 . . . . 0.0 110.968 179.985 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 130' ' ' CYS . . . . . 0.811 ' SG ' ' N ' ' B' ' 131' ' ' GLU . 17.4 p . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 131' ' ' GLU . . . . . 0.811 ' N ' ' SG ' ' B' ' 130' ' ' CYS . 40.9 tp10 -65.42 -55.23 19.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.553 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 132' ' ' ALA . . . . . 0.561 ' HB3' ' O ' ' B' ' 131' ' ' GLU . . . 72.63 -174.9 0.16 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.534 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 46.8 mt -88.86 79.28 7.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.538 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 134' ' ' LYS . . . . . . . . . . . . . 36.3 ttmt -66.87 -42.05 86.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.604 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 135' ' ' LYS . . . . . 0.488 ' O ' ' HB3' ' B' ' 136' ' ' ALA . 98.0 mttt -65.07 -43.59 91.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.571 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 136' ' ' ALA . . . . . 0.488 ' HB3' ' O ' ' B' ' 135' ' ' LYS . . . 68.09 -140.71 0.11 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.631 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 57.8 mt -102.94 101.42 11.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.547 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 138' ' ' ARG . . . . . 0.474 ' O ' ' HB2' ' B' ' 142' ' ' PHE . 87.1 mtm180 -65.95 -36.11 82.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.585 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 139' ' ' ARG . . . . . . . . . . . . . 60.8 ttp180 -60.43 -44.35 95.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.583 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 140' ' ' HIS . . . . . 0.691 ' O ' ' N ' ' B' ' 143' ' ' LEU . 74.2 t60 -79.16 -66.44 0.87 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.558 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 141' ' ' ARG . . . . . 0.464 ' C ' ' O ' ' B' ' 140' ' ' HIS . 40.7 ttm180 -33.96 -31.99 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.529 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 142' ' ' PHE . . . . . 0.552 ' N ' ' O ' ' B' ' 140' ' ' HIS . 15.0 m-85 -91.81 -29.39 16.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.541 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 143' ' ' LEU . . . . . 0.691 ' N ' ' O ' ' B' ' 140' ' ' HIS . 51.1 tp -58.91 -34.25 71.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.631 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 144' ' ' TRP . . . . . 0.437 ' O ' ' C ' ' B' ' 145' ' ' GLN . 64.0 t-105 -85.96 -53.74 4.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.568 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 145' ' ' GLN . . . . . 0.437 ' C ' ' O ' ' B' ' 144' ' ' TRP . 49.8 tt0 -35.42 -69.09 0.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.648 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 146' ' ' ARG . . . . . . . . . . . . . 77.6 mtp85 -72.26 138.19 47.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.664 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 147' ' ' ARG . . . . . . . . . . . . . 66.7 ttp85 -141.94 91.05 2.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.54 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 148' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 -97.38 -84.3 0.38 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.643 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -72.58 -35.8 68.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.608 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 150' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 118.038 -0.982 . . . . 0.0 110.585 179.929 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.5 ptt? . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.761 ' OD1' ' N ' ' A' ' 3' ' ' GLY . 46.6 p30 -51.37 -47.76 62.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.662 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.761 ' N ' ' OD1' ' A' ' 2' ' ' ASP . . . 84.68 -91.48 1.68 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 18.0 m -143.21 -34.07 0.43 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.832 0.349 . . . . 0.0 110.589 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -158.8 -150.91 5.93 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.779 ' O ' ' CB ' ' A' ' 7' ' ' GLN . 5.3 tp10 -138.91 113.15 8.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.788 0.328 . . . . 0.0 110.508 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.881 ' N ' ' CD ' ' A' ' 8' ' ' PRO . 3.9 tp60 109.25 24.64 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.542 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.881 ' CD ' ' N ' ' A' ' 7' ' ' GLN . 55.2 Cg_endo -73.4 143.49 34.97 Favored 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.807 2.338 . . . . 0.0 112.161 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 59.2 mtp180 -120.59 106.58 11.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.681 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.574 ' O ' ' N ' ' A' ' 12' ' ' GLY . . . 172.87 44.47 0.04 OUTLIER Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 10' ' ' GLY . . . -34.85 90.52 0.01 OUTLIER Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.574 ' N ' ' O ' ' A' ' 10' ' ' GLY . . . 103.7 67.25 0.74 Allowed Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.56 ' HD3' ' H ' ' A' ' 12' ' ' GLY . 46.6 Cg_exo -51.67 -24.79 18.48 Favored 'Trans proline' 0 C--N 1.305 -1.747 0 C-N-CA 122.786 2.324 . . . . 0.0 112.134 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.423 ' O ' ' OG1' ' A' ' 14' ' ' THR . 1.3 p -82.66 46.34 1.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.624 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.542 ' O ' ' CD1' ' A' ' 19' ' ' ILE . 34.0 p -100.8 -161.97 0.9 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.602 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.5 m -90.6 -5.4 55.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.687 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -82.35 -50.88 8.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.691 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.545 ' CD ' ' O ' ' A' ' 18' ' ' GLN . 3.0 tm0? -68.17 -20.4 64.87 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.594 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.542 ' CD1' ' O ' ' A' ' 15' ' ' SER . 71.0 mt -84.56 -57.32 4.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.57 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 62.4 ttp -51.37 -36.64 44.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.537 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -67.1 -47.13 72.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.444 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.441 HG22 ' O ' ' A' ' 22' ' ' THR . 29.1 m -71.89 -5.57 35.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.493 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -81.81 -53.76 3.65 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.668 ' O ' ' CG ' ' A' ' 28' ' ' GLN . . . -78.63 -8.85 59.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.833 0.349 . . . . 0.0 110.494 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.554 ' O ' ' C ' ' A' ' 26' ' ' LEU . 29.9 tp -86.7 -81.51 0.22 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.558 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.733 HD22 HG23 ' A' ' 56' ' ' THR . 0.1 OUTLIER -26.11 -66.4 0.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.531 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.427 ' C ' ' N ' ' A' ' 29' ' ' GLY . 4.9 tp -50.58 -58.54 5.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.579 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.857 ' NE2' HD11 ' A' ' 45' ' ' LEU . 69.6 mm-40 -46.85 -18.02 0.06 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.614 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.547 ' O ' ' N ' ' A' ' 31' ' ' ILE . . . -88.73 -72.9 1.28 Allowed Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -42.19 -18.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.834 0.35 . . . . 0.0 110.531 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.547 ' N ' ' O ' ' A' ' 29' ' ' GLY . 88.1 mt -77.07 -69.22 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.588 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.538 ' CD ' ' O ' ' A' ' 32' ' ' GLN . 0.0 OUTLIER -78.82 29.88 0.2 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.542 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.478 ' OD1' ' OE1' ' A' ' 32' ' ' GLN . 50.4 m-20 -112.81 -51.12 2.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.645 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.465 ' NH2' ' OD2' ' A' ' 71' ' ' ASP . 15.9 ptm180 -91.23 -27.13 18.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.579 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.474 ' CB ' HD22 ' A' ' 122' ' ' LEU . . . -98.75 -13.9 19.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.533 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -87.73 140.38 16.5 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 34.1 mmt180 -86.04 -175.48 5.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.791 0.329 . . . . 0.0 110.634 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 85.7 mmm -65.66 -37.84 87.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.608 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -89.52 174.53 41.56 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.871 -0.892 . . . . 0.0 110.871 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -166.12 65.52 0.21 Allowed Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.861 -0.896 . . . . 0.0 110.861 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -75.33 -40.27 58.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.777 0.323 . . . . 0.0 110.716 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.495 ' N ' ' HD3' ' A' ' 43' ' ' PRO . . . -147.3 59.25 4.71 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.656 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.495 ' HD3' ' N ' ' A' ' 42' ' ' ALA . 46.3 Cg_exo -51.74 155.73 7.58 Favored 'Trans proline' 0 C--N 1.305 -1.723 0 C-N-CA 122.708 2.272 . . . . 0.0 111.972 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -93.68 -8.08 41.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.53 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.857 HD11 ' NE2' ' A' ' 28' ' ' GLN . 35.0 tp -105.23 67.3 0.77 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.559 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -76.32 138.86 40.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.571 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.911 ' H ' HD23 ' A' ' 47' ' ' LEU . 1.1 pt? -145.67 173.05 12.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.557 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -90.76 160.64 38.05 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.601 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.743 ' O ' HG13 ' A' ' 50' ' ' VAL . 53.1 Cg_exo -47.26 165.26 0.11 Allowed 'Trans proline' 0 C--N 1.305 -1.733 0 C-N-CA 122.797 2.332 . . . . 0.0 112.149 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.743 HG13 ' O ' ' A' ' 49' ' ' PRO . 0.6 OUTLIER -164.41 138.26 4.2 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.54 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -48.91 164.43 0.24 Allowed 'Trans proline' 0 C--N 1.305 -1.747 0 C-N-CA 122.75 2.3 . . . . 0.0 112.055 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 56.8 tt0 -96.99 98.53 10.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.614 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -130.41 134.99 47.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.591 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -86.57 -2.94 58.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.628 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 6.5 t -58.45 -40.3 82.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.562 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.733 HG23 HD22 ' A' ' 26' ' ' LEU . 1.2 m -81.13 -33.87 32.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.515 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.2 mmmt -50.58 -54.58 21.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.564 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 31.9 ttpt -59.98 -47.73 84.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.554 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.622 ' O ' HD23 ' A' ' 59' ' ' LEU . 0.8 OUTLIER -61.94 -26.46 68.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.551 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.5 t -71.34 -35.36 71.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.556 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 76.0 mt-10 -63.78 -31.79 73.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.571 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.438 ' O ' HG22 ' A' ' 66' ' ' ILE . 92.9 m -64.24 -37.85 88.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.563 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.433 ' N ' HD12 ' A' ' 63' ' ' LEU . 8.6 mp -75.29 -24.72 57.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.535 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.9 ttpm? -84.26 -36.66 22.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.596 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.435 ' O ' ' OE2' ' A' ' 69' ' ' GLU . 99.6 mtt180 -68.5 -44.48 74.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.63 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.438 HG22 ' O ' ' A' ' 62' ' ' CYS . 20.7 tt -76.46 -35.05 25.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.623 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.426 ' O ' ' CB ' ' A' ' 71' ' ' ASP . . . -61.0 -45.4 96.69 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.961 -0.855 . . . . 0.0 110.961 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -62.76 -34.32 76.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.8 0.333 . . . . 0.0 110.592 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.54 ' OE1' ' N ' ' A' ' 69' ' ' GLU . 0.3 OUTLIER -79.59 -58.49 3.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.629 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.15 -43.05 73.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.617 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.465 ' OD2' ' NH2' ' A' ' 34' ' ' ARG . 55.0 t0 -65.07 -8.76 17.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.585 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.5 t -96.38 7.18 47.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.541 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -93.13 111.44 23.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.572 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 68.9 mtt -68.24 -11.35 59.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.542 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -80.17 -67.39 0.77 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.622 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 7.9 tp -59.68 -40.4 87.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.614 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.74 -37.91 85.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.584 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 72.3 ttt180 -68.55 -45.01 73.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.51 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.43 ' SD ' HG23 ' A' ' 182' ' ' THR . 55.6 mtt -54.43 -43.93 71.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.599 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.64 ' O ' HG12 ' A' ' 83' ' ' VAL . 83.7 mt -62.39 -23.71 32.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.59 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -85.97 -18.68 31.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.608 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -86.55 -15.18 40.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.635 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.885 ' O ' HG13 ' A' ' 83' ' ' VAL . 7.4 p -89.72 82.99 2.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.568 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 50.4 p30 -41.28 162.04 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.549 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 80.3 p -119.24 120.32 36.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.629 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.594 ' HA ' ' HZ3' ' B' ' 144' ' ' TRP . 52.8 p-10 -148.67 -0.73 0.53 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.436 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.656 ' O ' HG12 ' A' ' 91' ' ' VAL . 39.1 t -175.27 86.9 0.31 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.459 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.504 ' O ' ' HB2' ' A' ' 92' ' ' PHE . 31.9 Cg_endo -67.16 -16.0 47.74 Favored 'Trans proline' 0 C--N 1.306 -1.684 0 C-N-CA 122.798 2.332 . . . . 0.0 112.049 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 17.8 ptt-85 -85.7 -35.38 20.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.488 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -77.79 -58.05 3.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.495 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.665 HG13 ' N ' ' A' ' 92' ' ' PHE . 10.1 p -57.02 -51.54 67.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.577 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.665 ' N ' HG13 ' A' ' 91' ' ' VAL . 30.4 t80 -45.7 -52.64 10.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.498 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -67.64 -30.44 70.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.521 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.777 ' NE ' ' HE1' ' A' ' 188' ' ' TRP . 24.7 ttp180 -71.3 -57.93 4.0 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.566 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.624 HG23 ' N ' ' A' ' 96' ' ' ALA . 27.9 m -59.51 -48.26 87.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.535 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.624 ' N ' HG23 ' A' ' 95' ' ' VAL . . . -54.84 -27.71 44.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.579 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -81.85 -38.98 24.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.506 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.41 ' O ' ' C ' ' A' ' 99' ' ' MET . 99.5 m-20 -63.07 -38.71 92.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.567 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' MET . . . . . 0.537 ' HB2' HH21 ' A' ' 109' ' ' ARG . 64.6 mtt -38.43 -68.86 0.14 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.552 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.594 ' CD2' ' O ' ' A' ' 100' ' ' PHE . 15.8 p90 -111.27 57.6 0.62 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.617 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.2 t -74.74 -26.76 60.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.588 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.553 ' O ' ' C ' ' A' ' 103' ' ' GLY . 55.1 p-10 -155.59 -18.44 0.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.587 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.553 ' C ' ' O ' ' A' ' 102' ' ' ASP . . . -26.33 -80.73 0.01 OUTLIER Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ASN . . . . . 0.608 ' O ' ' CG ' ' A' ' 105' ' ' PHE . 8.7 m-20 174.52 34.41 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.749 0.309 . . . . 0.0 110.504 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.608 ' CG ' ' O ' ' A' ' 104' ' ' ASN . 30.6 p90 42.69 29.14 0.15 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.543 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.52 ' O ' ' HB2' ' A' ' 107' ' ' TRP . 27.2 p30 -52.28 -110.41 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.575 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' TRP . . . . . 0.546 ' NE1' HG21 ' A' ' 110' ' ' VAL . 6.8 t90 174.58 -26.11 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.552 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.591 ' O ' HG12 ' A' ' 111' ' ' VAL . . . -50.19 -42.03 40.03 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.537 HH21 ' HB2' ' A' ' 99' ' ' MET . 0.0 OUTLIER -48.17 -26.04 1.74 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.779 0.323 . . . . 0.0 110.51 179.939 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.546 HG21 ' NE1' ' A' ' 107' ' ' TRP . 34.0 t -52.65 -57.87 3.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.533 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.591 HG12 ' O ' ' A' ' 108' ' ' GLY . 4.8 p -45.34 -46.74 3.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.55 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.581 ' N ' HG13 ' A' ' 111' ' ' VAL . . . -58.09 -35.02 70.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.555 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.668 ' O ' HD23 ' A' ' 113' ' ' LEU . 1.9 tt -56.92 -46.73 81.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.513 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.459 ' CZ ' ' CG1' ' A' ' 110' ' ' VAL . 9.6 m-85 -57.19 -44.04 83.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.559 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 92.6 t80 -68.13 -43.36 78.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.58 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.45 ' CE2' HG21 ' A' ' 95' ' ' VAL . 92.9 t80 -59.26 -41.78 89.65 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.586 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.518 ' O ' HG23 ' A' ' 121' ' ' VAL . . . -70.99 -32.55 69.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.555 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 4.9 t -48.73 -44.1 38.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.503 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.813 ' O ' ' CB ' ' A' ' 123' ' ' LYS . 56.1 mmtt -60.05 -43.55 95.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.539 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 52.2 mt -68.38 -30.6 69.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.524 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.714 HG13 HG23 ' A' ' 133' ' ' ILE . 52.8 t -77.7 -53.34 14.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.57 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.474 HD22 ' CB ' ' A' ' 35' ' ' ALA . 70.2 mt -73.04 -40.73 64.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.553 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.813 ' CB ' ' O ' ' A' ' 119' ' ' LYS . 41.6 tptt -58.27 -41.19 83.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.539 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.466 ' O ' ' OG1' ' A' ' 127' ' ' THR . . . -75.83 -20.54 58.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.572 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 5.8 tt -64.56 -30.77 71.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.534 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' CYS . . . . . 0.467 ' SG ' ' N ' ' A' ' 127' ' ' THR . 13.9 p -84.6 -35.27 22.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.555 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.564 ' O ' ' CB ' ' A' ' 128' ' ' LYS . 40.4 p -54.61 -17.54 3.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.603 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.564 ' CB ' ' O ' ' A' ' 127' ' ' THR . 24.4 ttpt 85.79 46.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.571 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.539 ' CG2' ' OG1' ' A' ' 127' ' ' THR . 0.2 OUTLIER -148.15 86.91 5.89 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.603 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -69.3 -14.41 37.5 Favored 'Trans proline' 0 C--N 1.306 -1.669 0 C-N-CA 122.813 2.342 . . . . 0.0 112.027 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -64.6 -42.0 95.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.523 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 8.5 mp -60.1 -33.99 72.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.509 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.714 HG23 HG13 ' A' ' 121' ' ' VAL . 21.5 mm -57.05 -50.08 77.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.488 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 83.6 mtp180 -69.14 -34.88 75.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.456 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 7.3 m -67.25 -31.96 72.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.504 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.422 HG21 ' CG2' ' A' ' 121' ' ' VAL . 44.9 mt -69.69 -58.78 4.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.564 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 137' ' ' MET . . . . . 0.459 ' SD ' ' NE2' ' A' ' 28' ' ' GLN . 47.0 ttp -46.44 -25.59 0.69 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.552 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -68.61 -40.49 85.88 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 139' ' ' TRP . . . . . 0.515 ' CD1' ' N ' ' A' ' 139' ' ' TRP . 12.7 m0 -66.34 -24.45 66.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.848 0.356 . . . . 0.0 110.565 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 140' ' ' THR . . . . . 0.468 ' OG1' ' N ' ' A' ' 141' ' ' LEU . 24.1 p -75.49 -65.84 0.84 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.501 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.468 ' N ' ' OG1' ' A' ' 140' ' ' THR . 4.1 tp -51.77 -33.65 36.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.558 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -65.84 -51.0 62.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.5 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -66.85 -38.81 87.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.55 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.565 HD12 ' HB2' ' A' ' 148' ' ' LEU . 1.7 tp -71.16 -35.48 71.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.518 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 59.0 ttp180 -83.08 -10.56 58.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.539 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -112.05 -4.73 14.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.59 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 147' ' ' ARG . . . . . 1.152 ' O ' ' N ' ' A' ' 149' ' ' LEU . 17.1 mtp180 -142.11 -110.9 0.13 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.581 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 148' ' ' LEU . . . . . 0.813 ' H ' HD22 ' A' ' 148' ' ' LEU . 1.0 OUTLIER -15.35 -27.75 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.589 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 149' ' ' LEU . . . . . 1.152 ' N ' ' O ' ' A' ' 147' ' ' ARG . 44.4 tp -49.04 -56.35 9.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.559 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -63.89 -50.7 59.24 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 151' ' ' TRP . . . . . . . . . . . . . 99.6 m95 -66.24 -55.91 13.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.768 0.318 . . . . 0.0 110.538 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 152' ' ' ILE . . . . . 0.699 ' N ' ' O ' ' A' ' 148' ' ' LEU . 10.3 tt -51.22 -34.33 14.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.585 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 56.3 tt0 -67.49 -31.12 71.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.61 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 154' ' ' ASP . . . . . 0.436 ' OD1' ' O ' ' A' ' 154' ' ' ASP . 51.3 t0 -89.23 -4.54 58.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.56 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -97.49 0.76 48.14 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.542 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 83.74 24.65 48.95 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 89.77 -160.36 28.73 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.946 -0.861 . . . . 0.0 110.946 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 158' ' ' TRP . . . . . 0.46 ' CD1' HD11 ' A' ' 152' ' ' ILE . 36.0 m95 -73.95 -5.69 42.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.793 0.33 . . . . 0.0 110.514 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -60.92 -42.36 97.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.611 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -54.54 -32.05 52.84 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 161' ' ' LEU . . . . . 0.579 ' O ' HD23 ' A' ' 161' ' ' LEU . 2.1 tt -63.01 -54.07 44.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.812 0.339 . . . . 0.0 110.524 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 5.9 tp -67.15 -30.94 71.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.589 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 5.3 t -66.9 -26.04 66.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.533 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 93.6 t80 -76.93 -42.53 38.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.543 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -71.68 48.07 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.621 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -131.11 39.16 1.82 Allowed Glycine 0 CA--C 1.526 0.759 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 167' ' ' THR . . . . . 0.992 ' OG1' ' HD2' ' A' ' 168' ' ' PRO . 0.6 OUTLIER -108.52 178.7 0.99 Allowed Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 120.969 0.414 . . . . 0.0 110.498 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 168' ' ' PRO . . . . . 0.992 ' HD2' ' OG1' ' A' ' 167' ' ' THR . 42.8 Cg_endo -71.45 -144.94 0.02 OUTLIER 'Trans proline' 0 C--N 1.306 -1.659 0 C-N-CA 122.754 2.302 . . . . 0.0 112.122 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 169' ' ' THR . . . . . 0.58 ' C ' ' O ' ' A' ' 168' ' ' PRO . 19.9 p -24.24 102.5 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.537 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 170' ' ' TRP . . . . . 0.692 ' O ' HG22 ' A' ' 173' ' ' VAL . 29.3 p90 -65.57 -18.54 65.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.579 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 171' ' ' GLN . . . . . 0.428 ' O ' HD12 ' A' ' 175' ' ' ILE . 0.0 OUTLIER -47.34 -14.17 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.545 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 172' ' ' THR . . . . . 0.467 ' N ' ' C ' ' A' ' 170' ' ' TRP . 5.0 m -86.82 -29.46 22.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.632 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 173' ' ' VAL . . . . . 0.692 HG22 ' O ' ' A' ' 170' ' ' TRP . 2.0 m -72.08 -45.74 61.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.581 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 174' ' ' THR . . . . . 0.562 ' N ' ' CG2' ' A' ' 173' ' ' VAL . 25.1 m -64.47 -25.01 67.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.598 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 175' ' ' ILE . . . . . 0.557 HG22 ' O ' ' A' ' 175' ' ' ILE . 88.9 mt -85.71 -7.49 10.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.607 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 176' ' ' PHE . . . . . 0.483 ' O ' HG12 ' A' ' 180' ' ' VAL . 63.5 t80 -94.68 -60.05 1.79 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.534 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 3.3 m -62.11 -16.7 16.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.533 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 178' ' ' ALA . . . . . 0.614 ' O ' ' OG1' ' A' ' 182' ' ' THR . . . -95.59 -45.95 6.84 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.562 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -62.34 -26.14 67.58 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 180' ' ' VAL . . . . . 0.698 HG13 ' N ' ' A' ' 181' ' ' LEU . 13.7 p -86.23 -51.77 12.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.886 0.374 . . . . 0.0 110.604 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 181' ' ' LEU . . . . . 0.698 ' N ' HG13 ' A' ' 180' ' ' VAL . 42.5 tp -69.25 -48.03 63.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.544 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 182' ' ' THR . . . . . 0.614 ' OG1' ' O ' ' A' ' 178' ' ' ALA . 26.8 m -50.54 -51.35 48.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.573 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -47.33 -45.74 24.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.562 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 184' ' ' SER . . . . . . . . . . . . . 27.5 t -54.4 -37.92 65.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.574 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 62.6 mt -77.67 -21.6 51.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.529 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 20.9 m -73.29 -44.87 58.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.557 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 187' ' ' ILE . . . . . 0.636 HG23 ' N ' ' A' ' 188' ' ' TRP . 12.2 tt -73.68 -51.61 24.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.56 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 188' ' ' TRP . . . . . 0.777 ' HE1' ' NE ' ' A' ' 94' ' ' ARG . 7.0 t90 -30.75 -56.95 0.22 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.541 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 7.5 mmtt -175.68 128.29 0.25 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.564 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 190' ' ' LYS . . . . . . . . . . . . . 14.8 ptmt -110.0 89.6 3.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.534 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 191' ' ' MET . . . . . . . . . . . . . 84.3 mtp -128.62 136.56 50.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.503 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.693 0 CA-C-O 118.007 -1.441 . . . . 0.0 110.941 -179.99 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 130' ' ' CYS . . . . . 0.502 ' O ' ' O ' ' B' ' 131' ' ' GLU . 19.4 p . . . . . 0 N--CA 1.49 1.53 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 131' ' ' GLU . . . . . 0.502 ' O ' ' O ' ' B' ' 130' ' ' CYS . 17.1 pt-20 -48.73 -174.77 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.544 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . 53.26 -166.94 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.572 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 133' ' ' LEU . . . . . 0.603 HD22 ' N ' ' B' ' 133' ' ' LEU . 4.0 mm? -78.58 121.17 24.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.617 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 134' ' ' LYS . . . . . . . . . . . . . 26.5 tptp -51.55 -44.36 62.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.598 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 135' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -139.37 -91.83 0.18 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.567 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 136' ' ' ALA . . . . . 0.416 ' C ' HD12 ' B' ' 137' ' ' LEU . . . 49.29 85.19 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.596 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 137' ' ' LEU . . . . . 0.591 HD12 ' N ' ' B' ' 137' ' ' LEU . 10.1 mp -99.54 161.39 13.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.561 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 138' ' ' ARG . . . . . 0.487 ' O ' ' HB2' ' B' ' 142' ' ' PHE . 31.9 ptt180 -57.4 -3.33 0.16 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.586 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 139' ' ' ARG . . . . . 0.5 ' H ' ' C ' ' B' ' 137' ' ' LEU . 88.2 mtm180 -62.53 -44.18 96.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.592 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 140' ' ' HIS . . . . . 0.745 ' O ' ' N ' ' B' ' 143' ' ' LEU . 97.6 m-70 -79.58 -66.81 0.82 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.559 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 141' ' ' ARG . . . . . 0.495 ' C ' ' O ' ' B' ' 140' ' ' HIS . 59.6 ttm-85 -32.88 -30.53 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.554 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 142' ' ' PHE . . . . . 0.614 ' N ' ' O ' ' B' ' 140' ' ' HIS . 9.5 m-85 -94.32 -27.4 16.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.529 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 143' ' ' LEU . . . . . 0.745 ' N ' ' O ' ' B' ' 140' ' ' HIS . 34.7 tp -61.73 -31.82 72.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.557 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 144' ' ' TRP . . . . . 0.594 ' HZ3' ' HA ' ' A' ' 86' ' ' ASP . 65.3 t-105 -89.47 -52.22 5.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.555 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 145' ' ' GLN . . . . . 0.422 ' C ' ' O ' ' B' ' 144' ' ' TRP . 14.6 tt0 -37.31 -68.21 0.16 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.554 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 146' ' ' ARG . . . . . . . . . . . . . 90.0 mtm180 39.82 -106.63 0.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.551 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 147' ' ' ARG . . . . . . . . . . . . . 16.9 ptp180 -82.69 137.16 34.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.497 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 148' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -65.29 -40.99 94.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.55 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -155.77 133.21 10.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.552 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 150' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.444 0 CA-C-O 117.938 -1.029 . . . . 0.0 110.637 179.951 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.4 ptt? . . . . . 0 N--CA 1.49 1.575 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.825 ' OD1' ' N ' ' A' ' 3' ' ' GLY . 53.2 p-10 -56.63 -52.98 62.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.482 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.825 ' N ' ' OD1' ' A' ' 2' ' ' ASP . . . 89.38 -73.83 2.03 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.7 m -158.04 -24.89 0.08 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.864 0.364 . . . . 0.0 110.613 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 171.92 -147.87 10.43 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.944 ' O ' ' HB3' ' A' ' 7' ' ' GLN . 7.5 tp10 -136.43 105.64 6.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.829 0.347 . . . . 0.0 110.515 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.962 ' O ' ' HG3' ' A' ' 7' ' ' GLN . 5.5 tp-100 97.61 59.22 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.426 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.606 ' HD3' ' H ' ' A' ' 7' ' ' GLN . 53.4 Cg_exo -46.84 -178.24 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.741 0 C-N-CA 122.891 2.394 . . . . 0.0 112.134 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.416 ' C ' ' O ' ' A' ' 8' ' ' PRO . 34.1 mtp180 -38.76 130.41 1.43 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.381 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' A' ' 11' ' ' GLY . . . -141.89 -12.35 0.48 Allowed Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.179 -0.768 . . . . 0.0 111.179 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 10' ' ' GLY . . . 38.91 45.04 2.06 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.844 -0.902 . . . . 0.0 110.844 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -149.85 -80.91 0.03 OUTLIER Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.751 -0.94 . . . . 0.0 110.751 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.605 ' O ' ' N ' ' A' ' 15' ' ' SER . 57.8 Cg_exo -46.8 -43.57 23.5 Favored 'Trans proline' 0 C--N 1.304 -1.771 0 C-N-CA 122.765 2.31 . . . . 0.0 112.033 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.746 ' O ' ' N ' ' A' ' 16' ' ' SER . 70.9 p -60.81 65.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.613 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.823 ' O ' HD12 ' A' ' 19' ' ' ILE . 18.5 p -28.35 82.15 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.545 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.746 ' N ' ' O ' ' A' ' 14' ' ' THR . 57.7 m -92.58 -16.59 25.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.545 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -93.11 -47.28 7.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.536 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.445 HE22 HG21 ' A' ' 22' ' ' THR . 0.1 OUTLIER -59.73 -31.32 69.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.416 179.94 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.823 HD12 ' O ' ' A' ' 15' ' ' SER . 68.2 mt -75.66 -51.67 20.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.511 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 52.0 ttp -56.9 -36.41 70.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.624 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -67.92 -44.05 77.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.638 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.445 HG21 HE22 ' A' ' 18' ' ' GLN . 41.1 p -72.73 -13.48 61.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.58 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -74.86 -54.28 5.92 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.34 -10.33 59.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.756 0.313 . . . . 0.0 110.588 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.596 ' C ' HD23 ' A' ' 25' ' ' LEU . 6.6 tt -86.56 -78.4 0.29 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.556 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.53 ' C ' ' O ' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -29.17 -64.4 0.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.551 -179.952 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.408 ' O ' HG13 ' A' ' 31' ' ' ILE . 56.8 mt -52.47 -56.79 12.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.52 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.444 ' HA ' HD12 ' A' ' 31' ' ' ILE . 7.5 tp-100 -48.4 -18.02 0.2 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.575 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.532 ' O ' ' N ' ' A' ' 31' ' ' ILE . . . -88.63 -72.4 1.28 Allowed Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -42.51 -18.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.834 0.349 . . . . 0.0 110.58 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.532 ' N ' ' O ' ' A' ' 29' ' ' GLY . 94.2 mt -77.0 -69.02 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.568 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 43.7 tt0 -79.08 29.83 0.21 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.555 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.42 ' CG ' ' O ' ' A' ' 29' ' ' GLY . 97.9 m-20 -112.77 -51.17 2.85 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.548 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 -91.2 -26.98 18.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.528 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.47 ' CB ' HD22 ' A' ' 122' ' ' LEU . . . -99.21 -12.78 20.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.57 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -66.7 -36.4 91.21 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 46.1 ttm-85 50.58 -134.07 1.6 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.717 0.294 . . . . 0.0 110.554 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 14.6 tpp -155.73 143.97 20.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.503 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 73.16 20.04 79.81 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -63.91 -47.97 80.76 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 58.5 tt0 55.56 55.43 7.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.757 0.313 . . . . 0.0 110.531 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.608 ' N ' ' HD3' ' A' ' 43' ' ' PRO . . . 178.78 51.9 0.04 OUTLIER Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.634 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.608 ' HD3' ' N ' ' A' ' 42' ' ' ALA . 50.7 Cg_exo -49.09 100.22 0.04 OUTLIER 'Trans proline' 0 C--N 1.304 -1.765 0 C-N-CA 122.81 2.34 . . . . 0.0 112.106 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 63.2 mt-10 -88.61 -12.1 43.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.637 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.985 HD22 ' N ' ' A' ' 45' ' ' LEU . 0.4 OUTLIER -100.48 67.23 1.3 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.576 -179.946 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.404 ' O ' ' HB2' ' A' ' 47' ' ' LEU . . . -76.88 141.65 40.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.566 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.404 ' HB2' ' O ' ' A' ' 46' ' ' ALA . 23.5 tp 178.85 -69.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.535 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.453 ' O ' ' N ' ' A' ' 50' ' ' VAL . 27.3 p30 178.95 64.23 0.11 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.491 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_endo -64.27 64.53 0.24 Allowed 'Trans proline' 0 C--N 1.305 -1.747 0 C-N-CA 122.777 2.318 . . . . 0.0 112.06 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.453 ' N ' ' O ' ' A' ' 48' ' ' ASP . 3.0 t -138.52 70.63 45.48 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.539 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_endo -65.4 124.52 13.02 Favored 'Trans proline' 0 C--N 1.305 -1.761 0 C-N-CA 122.84 2.36 . . . . 0.0 112.157 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 -110.89 -57.98 2.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.541 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -73.29 140.37 46.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.614 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -86.4 -1.91 57.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.585 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 35.0 t -59.66 -39.71 85.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.603 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 41.0 p -82.7 -33.69 27.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.542 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -50.06 -54.81 17.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.554 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 31.0 ttpt -59.76 -47.99 83.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.621 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.61 HD21 ' HB2' ' A' ' 162' ' ' LEU . 6.5 mt -61.68 -26.25 67.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.564 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.6 t -71.44 -35.28 70.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.576 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -64.04 -31.57 72.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.538 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.446 ' O ' HG22 ' A' ' 66' ' ' ILE . 94.4 m -64.44 -37.67 88.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.593 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.463 ' N ' HD12 ' A' ' 63' ' ' LEU . 11.0 mp -75.5 -24.54 56.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.522 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.1 ttpm? -84.32 -36.53 22.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.625 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.439 ' O ' ' OE2' ' A' ' 69' ' ' GLU . 99.7 mtt180 -68.64 -44.45 74.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.558 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.446 HG22 ' O ' ' A' ' 62' ' ' CYS . 20.7 tt -76.48 -35.03 25.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.54 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.426 ' O ' ' CB ' ' A' ' 71' ' ' ASP . . . -61.04 -45.48 96.5 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.419 ' OD1' ' O ' ' A' ' 68' ' ' ASP . 67.8 t0 -62.69 -34.38 77.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.765 0.317 . . . . 0.0 110.54 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.542 ' OE1' ' N ' ' A' ' 69' ' ' GLU . 0.3 OUTLIER -79.6 -58.47 3.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.622 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.15 -43.0 73.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.575 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.426 ' CB ' ' O ' ' A' ' 67' ' ' GLY . 51.0 t0 -65.12 -8.71 17.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.546 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.4 t -96.41 7.14 47.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.63 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -93.05 111.5 23.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.542 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 58.4 mtt -68.27 -11.34 59.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.569 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -80.22 -67.38 0.77 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.591 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.7 tp -59.73 -40.3 87.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.575 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.802 ' OE1' HD21 ' B' ' 133' ' ' LEU . 1.4 tm0? -61.8 -37.96 86.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.571 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 75.3 ttt180 -68.41 -44.96 73.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.598 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.44 ' SD ' HG23 ' A' ' 182' ' ' THR . 65.2 mtp -54.51 -43.86 72.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.617 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.641 ' O ' HG12 ' A' ' 83' ' ' VAL . 84.8 mt -62.49 -23.6 32.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.569 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -86.12 -18.67 31.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.547 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -86.54 -15.36 40.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.577 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.873 ' O ' HG13 ' A' ' 83' ' ' VAL . 7.7 p -89.49 82.83 2.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.567 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.422 ' O ' ' O ' ' A' ' 83' ' ' VAL . 40.8 p-10 -40.62 162.52 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.581 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 23.0 p -119.87 119.89 34.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.56 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -148.62 -0.65 0.54 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.462 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.691 ' O ' HG12 ' A' ' 91' ' ' VAL . 36.3 t -175.51 87.42 0.3 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.493 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.512 ' O ' ' CB ' ' A' ' 92' ' ' PHE . 34.5 Cg_endo -67.76 -16.21 45.74 Favored 'Trans proline' 0 C--N 1.306 -1.702 0 C-N-CA 122.757 2.305 . . . . 0.0 112.068 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 36.8 ptt-85 -85.14 -35.74 21.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.497 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -78.0 -57.51 3.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.469 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.691 HG12 ' O ' ' A' ' 87' ' ' SER . 9.5 p -57.18 -51.42 69.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.548 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.658 ' N ' HG13 ' A' ' 91' ' ' VAL . 84.4 t80 -46.09 -52.31 12.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.481 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -67.56 -30.67 70.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.508 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 16.1 tpp180 -71.22 -58.14 3.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.539 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.626 HG23 ' N ' ' A' ' 96' ' ' ALA . 27.1 m -59.14 -48.22 87.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.495 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.626 ' N ' HG23 ' A' ' 95' ' ' VAL . . . -54.96 -27.69 45.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.532 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -81.94 -38.87 24.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.518 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 99' ' ' MET . 99.9 m-20 -63.16 -38.7 92.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.583 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' MET . . . . . 0.537 ' HB2' HH21 ' A' ' 109' ' ' ARG . 61.9 mtt -38.3 -68.94 0.13 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.551 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.6 ' CD2' ' O ' ' A' ' 100' ' ' PHE . 16.4 p90 -111.28 57.64 0.62 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.594 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.2 t -74.8 -26.79 59.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.551 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.533 ' O ' ' C ' ' A' ' 103' ' ' GLY . 55.6 p-10 -155.63 -18.36 0.11 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.543 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.533 ' C ' ' O ' ' A' ' 102' ' ' ASP . . . -26.28 -80.73 0.01 OUTLIER Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ASN . . . . . 0.605 ' O ' ' CG ' ' A' ' 105' ' ' PHE . 28.3 t-20 174.53 34.34 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.784 0.326 . . . . 0.0 110.605 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.605 ' CG ' ' O ' ' A' ' 104' ' ' ASN . 27.8 p90 42.7 29.0 0.14 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.614 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.523 ' O ' ' HB2' ' A' ' 107' ' ' TRP . 28.4 p30 -52.08 -110.47 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.609 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' TRP . . . . . 0.537 ' NE1' HG21 ' A' ' 110' ' ' VAL . 6.7 t90 174.61 -26.14 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.572 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.589 ' O ' HG12 ' A' ' 111' ' ' VAL . . . -50.12 -42.08 39.49 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.537 HH21 ' HB2' ' A' ' 99' ' ' MET . 0.0 OUTLIER -48.15 -26.05 1.73 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.775 0.321 . . . . 0.0 110.544 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.537 HG21 ' NE1' ' A' ' 107' ' ' TRP . 37.7 t -52.62 -57.86 3.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.561 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.589 HG12 ' O ' ' A' ' 108' ' ' GLY . 4.6 p -45.28 -46.77 3.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.563 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.579 ' N ' HG13 ' A' ' 111' ' ' VAL . . . -58.13 -34.98 70.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.592 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.662 ' O ' HD23 ' A' ' 113' ' ' LEU . 1.9 tt -56.94 -46.68 81.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.584 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.43 ' CZ ' ' CG1' ' A' ' 110' ' ' VAL . 10.2 m-85 -57.22 -43.99 83.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.616 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 90.7 t80 -68.15 -43.53 78.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.52 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.45 ' CE2' HG21 ' A' ' 95' ' ' VAL . 92.5 t80 -59.02 -41.92 88.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.566 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -70.93 -32.61 69.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.518 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 5.3 t -48.56 -44.23 36.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.605 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.82 ' O ' ' CB ' ' A' ' 123' ' ' LYS . 56.2 mmtt -59.98 -43.62 95.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.516 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 53.1 mt -68.03 -31.32 70.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.51 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.425 ' CG2' HG21 ' A' ' 136' ' ' ILE . 78.2 t -77.06 -53.66 14.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.523 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.47 HD22 ' CB ' ' A' ' 35' ' ' ALA . 68.4 mt -72.86 -40.91 65.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.515 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.82 ' CB ' ' O ' ' A' ' 119' ' ' LYS . 88.8 tttt -57.99 -41.11 82.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.567 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -75.73 -21.88 57.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.516 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 6.5 tt -63.04 -32.3 73.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.599 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 9.6 t -83.24 -35.48 25.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.605 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.747 ' O ' ' HB2' ' A' ' 128' ' ' LYS . 53.8 m -53.71 -19.23 3.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.574 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.747 ' HB2' ' O ' ' A' ' 127' ' ' THR . 54.4 mttp 87.51 45.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.531 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.517 HG23 ' O ' ' A' ' 129' ' ' VAL . 16.8 m -148.4 87.89 5.52 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.598 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -69.56 -15.04 37.62 Favored 'Trans proline' 0 C--N 1.304 -1.816 0 C-N-CA 122.799 2.333 . . . . 0.0 112.029 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -63.78 -41.73 97.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.498 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 9.3 mp -60.55 -34.18 73.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.481 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 99.7 mt -56.79 -50.06 76.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.507 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 134' ' ' ARG . . . . . 0.443 ' O ' ' HG3' ' A' ' 137' ' ' MET . 79.4 mtp85 -69.24 -34.83 75.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.457 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 7.1 m -67.24 -31.91 72.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.484 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.425 HG21 ' CG2' ' A' ' 121' ' ' VAL . 47.2 mt -69.68 -58.76 4.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.601 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 137' ' ' MET . . . . . 0.48 ' C ' ' SD ' ' A' ' 137' ' ' MET . 0.0 OUTLIER -46.54 -25.46 0.69 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.504 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -68.73 -40.4 85.42 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.911 -0.875 . . . . 0.0 110.911 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 139' ' ' TRP . . . . . 0.511 ' CD1' ' N ' ' A' ' 139' ' ' TRP . 13.2 m0 -66.36 -24.46 66.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.809 0.338 . . . . 0.0 110.529 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 140' ' ' THR . . . . . 0.503 ' OG1' ' N ' ' A' ' 141' ' ' LEU . 15.8 p -75.49 -65.86 0.84 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.53 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.503 ' N ' ' OG1' ' A' ' 140' ' ' THR . 52.5 mt -51.76 -33.7 36.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.511 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -65.79 -50.99 62.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.5 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 143' ' ' PHE . . . . . 0.431 ' O ' ' HB2' ' A' ' 147' ' ' ARG . 5.6 t80 -66.84 -38.86 87.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.612 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.575 HD12 ' HB2' ' A' ' 148' ' ' LEU . 2.0 tp -71.09 -35.47 71.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.531 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 59.2 ttp180 -83.07 -10.6 58.62 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.537 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -111.97 -4.67 14.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.561 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 147' ' ' ARG . . . . . 1.152 ' O ' ' N ' ' A' ' 149' ' ' LEU . 12.2 mtp180 -142.17 -110.98 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.537 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 148' ' ' LEU . . . . . 0.807 ' H ' HD22 ' A' ' 148' ' ' LEU . 1.0 OUTLIER -15.37 -27.73 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.516 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 149' ' ' LEU . . . . . 1.152 ' N ' ' O ' ' A' ' 147' ' ' ARG . 42.4 tp -49.18 -56.26 9.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.509 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -63.97 -50.61 59.61 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 151' ' ' TRP . . . . . . . . . . . . . 99.9 m95 -66.32 -55.8 14.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.764 0.316 . . . . 0.0 110.544 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 152' ' ' ILE . . . . . 0.697 ' N ' ' O ' ' A' ' 148' ' ' LEU . 10.3 tt -51.28 -34.26 14.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.566 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 153' ' ' GLN . . . . . 0.429 ' OE1' ' HA ' ' A' ' 14' ' ' THR . 11.9 tp-100 -67.51 -31.3 71.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.561 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -89.07 -4.52 58.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.536 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -97.47 0.73 48.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.594 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 83.64 24.75 49.02 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 89.75 -160.32 28.73 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 158' ' ' TRP . . . . . 0.483 ' CD1' HD11 ' A' ' 152' ' ' ILE . 32.2 m95 -73.98 -5.62 42.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.775 0.322 . . . . 0.0 110.513 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -60.91 -42.42 98.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.564 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -54.41 -32.18 51.98 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 161' ' ' LEU . . . . . 0.593 ' O ' HD23 ' A' ' 161' ' ' LEU . 2.0 tt -62.95 -54.06 44.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.804 0.335 . . . . 0.0 110.555 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 162' ' ' LEU . . . . . 0.61 ' HB2' HD21 ' A' ' 59' ' ' LEU . 45.6 tp -67.09 -30.98 71.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.617 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 4.9 t -66.87 -26.12 66.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.599 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 93.9 t80 -76.79 -42.68 39.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.52 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -71.53 48.18 0.14 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.569 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -131.36 39.27 1.8 Allowed Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 167' ' ' THR . . . . . 1.029 ' OG1' ' HD2' ' A' ' 168' ' ' PRO . 0.6 OUTLIER -108.71 179.25 0.88 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 120.898 0.38 . . . . 0.0 110.584 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 168' ' ' PRO . . . . . 1.029 ' HD2' ' OG1' ' A' ' 167' ' ' THR . 46.3 Cg_endo -71.98 -146.44 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.733 0 C-N-CA 122.836 2.357 . . . . 0.0 112.091 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 169' ' ' THR . . . . . 0.592 ' C ' ' O ' ' A' ' 168' ' ' PRO . 38.1 p -22.91 102.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.502 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 170' ' ' TRP . . . . . 0.681 ' O ' HG22 ' A' ' 173' ' ' VAL . 26.0 p90 -65.3 -18.63 65.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.552 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 171' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -46.9 -14.23 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.558 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 172' ' ' THR . . . . . 0.515 ' O ' HG22 ' A' ' 175' ' ' ILE . 96.9 m -87.0 -29.53 21.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.574 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 173' ' ' VAL . . . . . 0.681 HG22 ' O ' ' A' ' 170' ' ' TRP . 2.0 m -72.05 -45.65 62.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.639 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 174' ' ' THR . . . . . 0.567 ' N ' ' CG2' ' A' ' 173' ' ' VAL . 24.7 m -64.59 -24.89 67.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.553 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 175' ' ' ILE . . . . . 0.515 HG22 ' O ' ' A' ' 172' ' ' THR . 1.6 tt -85.8 -7.5 10.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.561 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 176' ' ' PHE . . . . . 0.481 ' O ' HG12 ' A' ' 180' ' ' VAL . 64.8 t80 -94.67 -60.13 1.77 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.546 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 3.2 m -62.14 -16.63 16.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.604 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 178' ' ' ALA . . . . . 0.622 ' O ' ' OG1' ' A' ' 182' ' ' THR . . . -95.63 -45.88 6.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.485 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -62.39 -26.05 67.56 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 180' ' ' VAL . . . . . 0.7 HG13 ' N ' ' A' ' 181' ' ' LEU . 13.7 p -86.31 -51.78 12.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.856 0.36 . . . . 0.0 110.497 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 181' ' ' LEU . . . . . 0.7 ' N ' HG13 ' A' ' 180' ' ' VAL . 60.0 tp -69.27 -47.99 63.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.57 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 182' ' ' THR . . . . . 0.622 ' OG1' ' O ' ' A' ' 178' ' ' ALA . 25.9 m -50.48 -51.36 47.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.602 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -47.35 -45.68 25.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.599 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 184' ' ' SER . . . . . . . . . . . . . 27.9 t -54.57 -37.76 65.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.587 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 64.2 mt -77.68 -21.69 51.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.551 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 20.7 m -73.24 -44.83 58.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.59 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 187' ' ' ILE . . . . . 0.64 HG23 ' N ' ' A' ' 188' ' ' TRP . 12.5 tt -73.73 -51.66 23.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.584 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 188' ' ' TRP . . . . . 0.64 ' N ' HG23 ' A' ' 187' ' ' ILE . 0.2 OUTLIER -30.63 -56.99 0.21 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.622 179.936 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 7.8 mmtt -175.75 128.3 0.24 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.588 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 190' ' ' LYS . . . . . . . . . . . . . 14.2 ptmt -109.89 89.55 3.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.573 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 191' ' ' MET . . . . . . . . . . . . . 83.1 mtp -128.63 136.6 50.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.499 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.719 0 CA-C-O 118.031 -1.427 . . . . 0.0 110.957 179.991 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 130' ' ' CYS . . . . . . . . . . . . . 97.8 m . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 131' ' ' GLU . . . . . . . . . . . . . 82.1 mt-10 -68.0 -42.32 80.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.566 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -135.35 148.91 49.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.614 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 133' ' ' LEU . . . . . 0.802 HD21 ' OE1' ' A' ' 77' ' ' GLN . 9.1 mp -55.86 127.03 28.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.548 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 134' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -89.77 -11.42 42.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.538 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 135' ' ' LYS . . . . . 0.451 ' O ' ' O ' ' B' ' 136' ' ' ALA . 98.1 mttt -60.1 -48.71 80.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.549 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 136' ' ' ALA . . . . . 0.451 ' O ' ' O ' ' B' ' 135' ' ' LYS . . . 47.41 99.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.544 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 137' ' ' LEU . . . . . 0.588 HD12 ' N ' ' B' ' 137' ' ' LEU . 9.6 mp -79.47 144.05 34.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.527 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 138' ' ' ARG . . . . . 0.544 ' O ' ' HB2' ' B' ' 142' ' ' PHE . 50.1 ttp180 -106.08 -7.99 17.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.548 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 139' ' ' ARG . . . . . 0.516 HH21 HD23 ' B' ' 137' ' ' LEU . 84.1 mtm180 -59.37 -42.51 91.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.579 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 140' ' ' HIS . . . . . 0.779 ' O ' ' N ' ' B' ' 143' ' ' LEU . 10.5 p80 -83.78 -67.71 0.77 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.5 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 141' ' ' ARG . . . . . 0.693 ' H ' ' CG ' ' B' ' 140' ' ' HIS . 58.7 ttp180 -31.67 -29.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.6 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 142' ' ' PHE . . . . . 0.658 ' N ' ' O ' ' B' ' 140' ' ' HIS . 3.7 m-85 -95.0 -27.76 15.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.457 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 143' ' ' LEU . . . . . 0.779 ' N ' ' O ' ' B' ' 140' ' ' HIS . 6.9 tp -61.36 -32.39 72.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.501 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 144' ' ' TRP . . . . . 0.439 ' O ' ' C ' ' B' ' 145' ' ' GLN . 63.1 t-105 -88.17 -53.72 4.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.585 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 145' ' ' GLN . . . . . 0.439 ' C ' ' O ' ' B' ' 144' ' ' TRP . 2.5 tm0? -36.19 -66.79 0.19 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.555 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 146' ' ' ARG . . . . . . . . . . . . . 60.6 ttt85 -77.92 130.55 36.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.57 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 147' ' ' ARG . . . . . . . . . . . . . 31.6 ptt180 -61.17 129.35 40.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.639 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 148' ' ' GLN . . . . . 0.476 ' C ' ' H ' ' B' ' 150' ' ' ALA . 5.9 tp-100 -65.82 -30.99 71.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.609 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 66.8 ttt180 62.67 -1.19 0.47 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.592 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 150' ' ' ALA . . . . . 0.476 ' H ' ' C ' ' B' ' 148' ' ' GLN . . . . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 117.993 -1.003 . . . . 0.0 110.592 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.9 ptt? . . . . . 0 N--CA 1.491 1.597 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 55.7 p30 -85.96 3.05 43.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.536 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 58.65 -131.54 52.1 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 74.5 m -62.22 -40.47 96.21 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.851 0.358 . . . . 0.0 110.591 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 179.02 -177.15 48.38 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 52.8 tp10 -138.18 132.94 32.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.851 0.358 . . . . 0.0 110.521 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.407 ' N ' ' CD ' ' A' ' 8' ' ' PRO . 9.0 tp-100 47.69 56.83 17.83 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.567 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.407 ' CD ' ' N ' ' A' ' 7' ' ' GLN . 49.6 Cg_endo -69.85 151.23 68.47 Favored 'Trans proline' 0 C--N 1.305 -1.734 0 C-N-CA 122.919 2.413 . . . . 0.0 112.099 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 85.2 mtp180 -70.41 144.12 51.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.521 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -61.16 -40.25 98.3 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 58.95 -131.12 51.89 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.835 -0.906 . . . . 0.0 110.835 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -179.87 -176.65 47.48 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.699 ' O ' ' C ' ' A' ' 14' ' ' THR . 50.0 Cg_exo -49.37 -94.82 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.734 0 C-N-CA 122.824 2.349 . . . . 0.0 112.035 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.699 ' C ' ' O ' ' A' ' 13' ' ' PRO . 25.8 p -3.99 89.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.446 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.998 ' O ' ' CD1' ' A' ' 19' ' ' ILE . 5.8 p -135.17 -152.79 0.48 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.652 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 56.4 m -98.73 -16.46 18.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.617 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -83.49 -48.46 10.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.625 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 58.2 tt0 -66.4 -22.54 66.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.609 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.998 ' CD1' ' O ' ' A' ' 15' ' ' SER . 69.0 mt -82.11 -56.13 6.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.613 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 60.8 ttp -52.38 -36.87 54.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.451 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 27.4 mmtp -66.91 -46.67 74.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.558 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.479 HG22 ' O ' ' A' ' 22' ' ' THR . 56.6 m -71.95 -7.44 48.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.582 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -79.91 -54.04 4.03 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.563 ' O ' ' OE1' ' A' ' 28' ' ' GLN . . . -78.43 -9.11 59.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.782 0.325 . . . . 0.0 110.516 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.617 ' C ' HD23 ' A' ' 25' ' ' LEU . 5.3 tt -86.71 -81.14 0.23 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.562 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.613 HD22 ' OG1' ' A' ' 56' ' ' THR . 0.1 OUTLIER -26.47 -65.95 0.06 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.53 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.555 ' O ' HG12 ' A' ' 31' ' ' ILE . 11.0 mp -51.08 -58.02 7.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.577 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.585 ' N ' ' OE1' ' A' ' 28' ' ' GLN . 4.1 mp0 -47.38 -17.93 0.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.529 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.543 ' O ' ' N ' ' A' ' 31' ' ' ILE . . . -88.76 -72.87 1.28 Allowed Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 42.8 t80 -42.03 -18.84 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.727 0.299 . . . . 0.0 110.579 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.555 HG12 ' O ' ' A' ' 27' ' ' LEU . 31.7 mm -76.97 -69.3 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.532 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.414 ' CD ' ' O ' ' A' ' 32' ' ' GLN . 0.0 OUTLIER -78.82 30.07 0.2 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.59 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.416 ' H ' ' C ' ' A' ' 31' ' ' ILE . 64.8 t0 -112.96 -50.97 2.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.63 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.486 ' NH2' ' OD2' ' A' ' 71' ' ' ASP . 15.9 ptm180 -91.4 -27.0 18.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.586 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.517 ' O ' ' N ' ' A' ' 37' ' ' ARG . . . -99.23 -12.64 20.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.531 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -59.5 76.32 0.01 OUTLIER Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.517 ' N ' ' O ' ' A' ' 35' ' ' ALA . 87.4 mtm180 -66.02 -35.94 81.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.872 0.368 . . . . 0.0 110.613 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.428 ' O ' ' O ' ' A' ' 37' ' ' ARG . 53.9 ttp 57.59 155.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.585 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 100.51 -11.25 59.66 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -80.82 -160.14 23.16 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -64.79 -56.14 15.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.791 0.329 . . . . 0.0 110.525 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -168.72 147.17 3.53 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.57 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -49.22 136.18 30.93 Favored 'Trans proline' 0 C--N 1.305 -1.737 0 C-N-CA 122.818 2.345 . . . . 0.0 112.105 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -91.33 -13.54 32.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.517 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 1.032 HD22 ' N ' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -99.7 68.28 1.53 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.622 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.753 ' HB3' HH22 ' A' ' 134' ' ' ARG . . . -75.33 137.27 41.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.634 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.607 ' O ' ' C ' ' A' ' 48' ' ' ASP . 1.1 mt 161.7 -145.29 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.583 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.607 ' C ' ' O ' ' A' ' 47' ' ' LEU . 1.5 m-20 21.76 88.89 0.06 OUTLIER Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.477 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -68.26 -23.84 38.41 Favored 'Trans proline' 0 C--N 1.305 -1.759 0 C-N-CA 122.796 2.331 . . . . 0.0 112.323 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.597 HG22 ' O ' ' A' ' 50' ' ' VAL . 3.5 p -166.07 75.27 1.23 Allowed Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.791 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.525 ' HG3' ' HB3' ' A' ' 48' ' ' ASP . 25.1 Cg_exo -58.94 167.62 5.34 Favored 'Trans proline' 0 C--N 1.304 -1.768 0 C-N-CA 122.754 2.303 . . . . 0.0 111.917 179.771 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.775 ' O ' ' OD2' ' A' ' 53' ' ' ASP . 13.4 pt20 174.35 -176.5 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.647 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.775 ' OD2' ' O ' ' A' ' 52' ' ' GLN . 0.4 OUTLIER 73.83 115.16 0.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.487 179.93 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -72.88 -6.56 45.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.566 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 84.5 p -57.68 -39.02 76.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.562 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.613 ' OG1' HD22 ' A' ' 26' ' ' LEU . 9.0 t -82.67 -33.85 27.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.525 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 55.2 tttp -50.46 -54.59 20.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.546 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 29.5 ttpt -60.19 -47.46 85.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.576 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.627 ' O ' HD23 ' A' ' 59' ' ' LEU . 0.8 OUTLIER -62.15 -26.38 68.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.577 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 6.1 t -71.3 -35.46 71.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.548 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -63.72 -31.77 73.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.556 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.425 ' O ' HG22 ' A' ' 66' ' ' ILE . 93.7 m -64.27 -37.78 88.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.59 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.451 ' N ' HD12 ' A' ' 63' ' ' LEU . 10.6 mp -75.35 -24.69 57.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.572 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -84.21 -36.68 22.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.589 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.435 ' O ' ' OE2' ' A' ' 69' ' ' GLU . 94.9 mtt180 -68.47 -44.44 74.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.632 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.425 HG22 ' O ' ' A' ' 62' ' ' CYS . 20.4 tt -76.47 -35.07 25.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.55 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.426 ' O ' ' CB ' ' A' ' 71' ' ' ASP . . . -61.08 -45.36 96.74 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.969 -0.853 . . . . 0.0 110.969 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.461 ' OD1' ' O ' ' A' ' 68' ' ' ASP . 67.7 t0 -62.79 -34.32 77.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.767 0.317 . . . . 0.0 110.512 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.545 ' OE1' ' N ' ' A' ' 69' ' ' GLU . 0.3 OUTLIER -79.57 -58.55 3.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.584 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.482 HD22 HD23 ' A' ' 76' ' ' LEU . 1.3 mt -55.13 -43.07 73.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.549 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.486 ' OD2' ' NH2' ' A' ' 34' ' ' ARG . 53.8 t0 -65.08 -8.71 17.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.561 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.5 t -96.4 7.03 47.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.574 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -92.97 111.5 23.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.485 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 80.3 mmm -68.29 -11.26 59.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.535 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 -80.34 -67.22 0.79 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.578 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.482 HD23 HD22 ' A' ' 70' ' ' LEU . 58.4 tp -59.82 -40.34 88.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.627 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.547 ' OE1' ' CD ' ' B' ' 134' ' ' LYS . 7.0 tt0 -61.76 -37.87 85.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.585 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 74.6 ttt180 -68.5 -44.93 73.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.568 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.484 ' SD ' HG23 ' A' ' 182' ' ' THR . 74.2 mtp -54.5 -43.99 72.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.55 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.413 ' O ' ' CG1' ' A' ' 83' ' ' VAL . 87.0 mt -62.28 -23.8 33.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.616 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -85.91 -18.72 31.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.623 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -86.5 -15.32 40.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.587 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.653 HG22 ' O ' ' A' ' 83' ' ' VAL . 1.7 p -89.5 82.89 2.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.494 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.422 ' N ' ' OD1' ' A' ' 84' ' ' ASP . 33.1 p-10 -41.08 162.08 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.583 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 77.9 p -119.23 119.77 35.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.586 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 53.3 p-10 -148.18 -0.79 0.58 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.447 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.664 ' O ' HG12 ' A' ' 91' ' ' VAL . 33.2 t -175.42 87.32 0.3 Allowed Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.489 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.502 ' O ' ' CB ' ' A' ' 92' ' ' PHE . 33.3 Cg_endo -67.54 -16.12 46.46 Favored 'Trans proline' 0 C--N 1.304 -1.764 0 C-N-CA 122.825 2.35 . . . . 0.0 112.103 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 34.4 ptt-85 -84.91 -36.3 21.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.563 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -77.21 -58.75 3.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.529 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.672 HG13 ' N ' ' A' ' 92' ' ' PHE . 10.3 p -55.99 -52.19 52.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.459 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.672 ' N ' HG13 ' A' ' 91' ' ' VAL . 81.2 t80 -45.31 -52.83 9.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.556 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 81.1 t80 -67.72 -30.15 69.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.488 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.753 ' NE ' ' HE1' ' A' ' 188' ' ' TRP . 27.2 ttp180 -71.74 -57.25 4.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.544 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.625 HG23 ' N ' ' A' ' 96' ' ' ALA . 26.4 m -60.19 -47.97 89.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.48 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.625 ' N ' HG23 ' A' ' 95' ' ' VAL . . . -54.99 -27.74 46.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.542 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -81.72 -38.91 25.04 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.578 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 99' ' ' MET . 99.3 m-20 -63.21 -38.64 91.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.546 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' MET . . . . . 0.551 ' HB2' HH21 ' A' ' 109' ' ' ARG . 65.0 mtt -38.36 -68.88 0.14 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.567 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.605 ' CD2' ' O ' ' A' ' 100' ' ' PHE . 16.3 p90 -111.24 57.53 0.62 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.604 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.2 t -74.71 -26.78 60.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.575 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.538 ' O ' ' C ' ' A' ' 103' ' ' GLY . 54.3 p-10 -155.61 -18.35 0.11 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.512 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.538 ' C ' ' O ' ' A' ' 102' ' ' ASP . . . -26.36 -80.7 0.01 OUTLIER Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ASN . . . . . 0.605 ' O ' ' CG ' ' A' ' 105' ' ' PHE . 28.7 t-20 174.52 34.4 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.821 0.343 . . . . 0.0 110.617 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.605 ' CG ' ' O ' ' A' ' 104' ' ' ASN . 27.5 p90 42.58 29.13 0.14 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.577 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.519 ' O ' ' HB2' ' A' ' 107' ' ' TRP . 27.6 p30 -52.1 -110.45 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.542 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' TRP . . . . . 0.548 ' NE1' HG21 ' A' ' 110' ' ' VAL . 6.8 t90 174.57 -26.16 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.534 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.59 ' O ' HG12 ' A' ' 111' ' ' VAL . . . -50.17 -42.12 39.96 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.551 HH21 ' HB2' ' A' ' 99' ' ' MET . 0.0 OUTLIER -48.13 -26.06 1.72 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.762 0.315 . . . . 0.0 110.527 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.548 HG21 ' NE1' ' A' ' 107' ' ' TRP . 36.6 t -52.61 -57.88 3.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.481 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.59 HG12 ' O ' ' A' ' 108' ' ' GLY . 4.7 p -45.33 -46.73 3.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.538 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.58 ' N ' HG13 ' A' ' 111' ' ' VAL . . . -58.07 -35.04 70.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.556 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.673 ' O ' HD23 ' A' ' 113' ' ' LEU . 2.1 tt -56.94 -46.72 81.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.513 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.445 ' CZ ' ' CG1' ' A' ' 110' ' ' VAL . 9.9 m-85 -57.19 -44.07 83.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.577 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 91.9 t80 -67.98 -43.58 78.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.57 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.447 ' CE2' HG21 ' A' ' 95' ' ' VAL . 92.5 t80 -59.11 -41.85 89.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.643 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.466 ' O ' HG23 ' A' ' 121' ' ' VAL . . . -70.94 -32.52 69.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.575 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 4.8 t -48.62 -44.25 37.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.531 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.816 ' O ' ' CB ' ' A' ' 123' ' ' LYS . 54.9 mmtt -60.0 -43.66 95.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.54 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 55.2 mt -68.08 -31.06 70.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.547 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.723 HG13 HG23 ' A' ' 133' ' ' ILE . 57.7 t -77.28 -53.54 14.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.546 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.471 HD22 ' CB ' ' A' ' 35' ' ' ALA . 69.7 mt -72.93 -40.83 65.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.547 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.816 ' CB ' ' O ' ' A' ' 119' ' ' LYS . 64.4 tttm -58.13 -41.09 82.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.572 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.513 ' O ' ' OG1' ' A' ' 127' ' ' THR . . . -75.88 -21.17 57.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.602 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 6.2 tt -63.89 -31.47 72.66 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.574 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 8.4 t -84.35 -34.77 23.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.573 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.724 ' O ' ' HB2' ' A' ' 128' ' ' LYS . 33.2 p -54.22 -18.89 4.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.559 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.724 ' HB2' ' O ' ' A' ' 127' ' ' THR . 17.6 mtpp 87.56 44.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.594 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.487 ' CG2' ' OG1' ' A' ' 127' ' ' THR . 0.3 OUTLIER -148.11 88.23 5.53 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.585 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -70.08 -14.93 35.65 Favored 'Trans proline' 0 C--N 1.305 -1.715 0 C-N-CA 122.736 2.291 . . . . 0.0 112.063 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -63.69 -42.26 98.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.516 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 8.4 mp -59.79 -34.11 72.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.538 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.723 HG23 HG13 ' A' ' 121' ' ' VAL . 22.3 mm -56.86 -50.23 76.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.482 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 134' ' ' ARG . . . . . 0.753 HH22 ' HB3' ' A' ' 46' ' ' ALA . 92.0 mtt-85 -69.01 -34.91 76.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.529 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 14.6 m -67.11 -32.04 72.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.513 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.425 HG21 ' CG2' ' A' ' 121' ' ' VAL . 45.3 mt -69.61 -58.88 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.573 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 3.8 ptt? -46.46 -25.44 0.67 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.552 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -68.65 -40.49 85.69 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -66.29 -24.46 66.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.872 0.367 . . . . 0.0 110.584 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 140' ' ' THR . . . . . 0.469 ' OG1' ' N ' ' A' ' 141' ' ' LEU . 23.2 p -75.58 -65.82 0.85 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.538 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.469 ' N ' ' OG1' ' A' ' 140' ' ' THR . 52.5 mt -51.75 -33.68 35.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.569 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 43.3 t0 -65.68 -51.04 62.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.591 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 143' ' ' PHE . . . . . 0.482 ' O ' ' HB2' ' A' ' 147' ' ' ARG . 35.4 t80 -66.79 -38.91 87.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.586 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.562 HD12 ' HB2' ' A' ' 148' ' ' LEU . 1.8 tp -71.13 -35.49 71.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.535 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 58.7 ttp180 -83.01 -10.65 58.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.538 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -112.02 -4.56 14.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.566 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 147' ' ' ARG . . . . . 1.154 ' O ' ' N ' ' A' ' 149' ' ' LEU . 25.9 mmt180 -142.18 -110.85 0.13 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.599 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 148' ' ' LEU . . . . . 0.828 ' H ' HD22 ' A' ' 148' ' ' LEU . 1.1 mm? -15.36 -27.77 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.568 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 149' ' ' LEU . . . . . 1.154 ' N ' ' O ' ' A' ' 147' ' ' ARG . 48.5 tp -49.11 -56.31 9.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.581 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -63.92 -50.6 59.81 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 151' ' ' TRP . . . . . . . . . . . . . 99.5 m95 -66.31 -55.81 14.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.719 0.295 . . . . 0.0 110.555 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 152' ' ' ILE . . . . . 0.694 ' N ' ' O ' ' A' ' 148' ' ' LEU . 10.7 tt -51.32 -34.29 14.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.524 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -67.52 -31.19 71.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.539 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 53.7 t0 -89.17 -4.51 58.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.588 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -97.58 0.86 48.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.597 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 83.64 24.6 49.51 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 89.86 -160.25 28.54 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.866 -0.893 . . . . 0.0 110.866 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 158' ' ' TRP . . . . . 0.48 ' CD1' HD11 ' A' ' 152' ' ' ILE . 33.2 m95 -73.93 -5.71 42.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.842 0.353 . . . . 0.0 110.583 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -60.91 -42.44 98.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.557 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -54.48 -32.16 52.44 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 161' ' ' LEU . . . . . 0.589 ' O ' HD23 ' A' ' 161' ' ' LEU . 2.2 tt -62.9 -54.06 44.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.785 0.326 . . . . 0.0 110.559 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 47.4 tp -67.15 -30.96 71.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.55 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 21.1 t -66.92 -26.13 66.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.54 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 92.8 t80 -76.87 -42.55 39.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.564 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -71.59 48.2 0.14 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.619 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -131.34 39.44 1.77 Allowed Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 167' ' ' THR . . . . . 1.026 ' OG1' ' HD2' ' A' ' 168' ' ' PRO . 0.6 OUTLIER -108.78 179.15 0.89 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 120.876 0.37 . . . . 0.0 110.539 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 168' ' ' PRO . . . . . 1.026 ' HD2' ' OG1' ' A' ' 167' ' ' THR . 44.4 Cg_endo -71.83 -145.77 0.02 OUTLIER 'Trans proline' 0 C--N 1.304 -1.783 0 C-N-CA 122.837 2.358 . . . . 0.0 112.113 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 169' ' ' THR . . . . . 0.585 ' C ' ' O ' ' A' ' 168' ' ' PRO . 29.9 p -23.72 102.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.558 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 170' ' ' TRP . . . . . 0.686 ' O ' HG22 ' A' ' 173' ' ' VAL . 28.6 p90 -65.21 -18.58 65.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.606 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 171' ' ' GLN . . . . . 0.429 ' O ' HD12 ' A' ' 175' ' ' ILE . 0.0 OUTLIER -46.95 -14.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.542 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 172' ' ' THR . . . . . 0.484 ' N ' ' C ' ' A' ' 170' ' ' TRP . 98.3 m -86.92 -29.51 22.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.598 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 173' ' ' VAL . . . . . 0.686 HG22 ' O ' ' A' ' 170' ' ' TRP . 2.1 m -72.14 -45.65 61.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.557 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 174' ' ' THR . . . . . 0.568 ' N ' ' CG2' ' A' ' 173' ' ' VAL . 25.8 m -64.5 -24.89 67.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.596 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 175' ' ' ILE . . . . . 0.555 HG22 ' O ' ' A' ' 175' ' ' ILE . 89.5 mt -85.83 -7.42 10.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.612 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 176' ' ' PHE . . . . . 0.485 ' O ' HG12 ' A' ' 180' ' ' VAL . 63.3 t80 -94.69 -60.06 1.79 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.55 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 3.1 m -62.03 -16.79 16.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.581 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 178' ' ' ALA . . . . . 0.63 ' O ' ' OG1' ' A' ' 182' ' ' THR . . . -95.54 -45.87 6.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.537 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -62.37 -26.18 67.67 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 180' ' ' VAL . . . . . 0.697 HG13 ' N ' ' A' ' 181' ' ' LEU . 13.6 p -86.13 -51.76 12.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.889 0.376 . . . . 0.0 110.607 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 181' ' ' LEU . . . . . 0.697 ' N ' HG13 ' A' ' 180' ' ' VAL . 45.0 tp -69.31 -48.01 62.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.563 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 182' ' ' THR . . . . . 0.63 ' OG1' ' O ' ' A' ' 178' ' ' ALA . 24.8 m -50.45 -51.46 46.58 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.585 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -47.32 -45.67 24.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.571 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 184' ' ' SER . . . . . . . . . . . . . 27.7 t -54.5 -37.88 65.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.527 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 62.6 mt -77.63 -21.64 51.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.675 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 21.5 m -73.24 -44.87 58.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.597 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 187' ' ' ILE . . . . . 0.639 HG23 ' N ' ' A' ' 188' ' ' TRP . 12.3 tt -73.7 -51.67 23.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.548 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 188' ' ' TRP . . . . . 0.753 ' HE1' ' NE ' ' A' ' 94' ' ' ARG . 6.7 t90 -30.71 -56.86 0.21 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.59 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 7.6 mmtt -175.83 128.25 0.24 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.556 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 190' ' ' LYS . . . . . . . . . . . . . 14.2 ptmt -109.88 89.52 3.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.575 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 191' ' ' MET . . . . . . . . . . . . . 93.7 mtp -128.56 136.62 50.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.618 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.769 0 CA-C-O 117.981 -1.455 . . . . 0.0 110.944 179.996 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 130' ' ' CYS . . . . . . . . . . . . . 26.5 p . . . . . 0 N--CA 1.489 1.518 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 131' ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -64.5 -55.8 18.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.597 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -52.74 167.58 0.14 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.552 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 60.9 tp -57.6 -39.88 77.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.562 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 134' ' ' LYS . . . . . 0.547 ' CD ' ' OE1' ' A' ' 77' ' ' GLN . 50.5 tttm -176.98 -76.79 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.571 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 135' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -143.29 149.98 38.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.637 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 136' ' ' ALA . . . . . 0.542 ' C ' HD12 ' B' ' 137' ' ' LEU . . . -144.83 134.77 23.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.511 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 137' ' ' LEU . . . . . 0.709 ' H ' ' NH2' ' B' ' 141' ' ' ARG . 7.0 mp -97.45 133.74 41.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.618 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 138' ' ' ARG . . . . . 0.494 ' O ' ' HB2' ' B' ' 142' ' ' PHE . 34.1 mmt180 -89.67 -9.86 47.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.496 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 139' ' ' ARG . . . . . . . . . . . . . 75.4 ttt180 -61.8 -44.7 96.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.505 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 140' ' ' HIS . . . . . 0.692 ' O ' ' N ' ' B' ' 143' ' ' LEU . 31.2 t-80 -79.5 -65.14 1.04 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.516 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 141' ' ' ARG . . . . . 0.709 ' NH2' ' H ' ' B' ' 137' ' ' LEU . 1.2 mpp_? -34.81 -31.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.421 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 142' ' ' PHE . . . . . 0.544 ' N ' ' O ' ' B' ' 140' ' ' HIS . 12.1 m-85 -93.07 -29.14 15.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.442 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 143' ' ' LEU . . . . . 0.692 ' N ' ' O ' ' B' ' 140' ' ' HIS . 33.8 tp -58.69 -34.43 71.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.587 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 144' ' ' TRP . . . . . 0.474 ' O ' ' C ' ' B' ' 145' ' ' GLN . 59.7 t-105 -85.65 -55.69 3.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.6 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 145' ' ' GLN . . . . . 0.474 ' C ' ' O ' ' B' ' 144' ' ' TRP . 5.1 tm0? -33.87 -71.39 0.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.618 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 146' ' ' ARG . . . . . . . . . . . . . 67.0 ttt180 -94.02 117.66 30.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.686 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 147' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -155.52 108.51 2.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.562 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 148' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -72.12 -39.26 68.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.567 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 85.4 mtm-85 -109.33 119.27 38.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.552 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 150' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.463 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.511 -179.968 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.52 ' O ' ' C ' ' A' ' 2' ' ' ASP . 8.2 ptt? . . . . . 0 N--CA 1.491 1.591 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.587 ' CG ' ' H ' ' A' ' 3' ' ' GLY . 40.3 p-10 -30.62 -66.56 0.1 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.544 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.587 ' H ' ' CG ' ' A' ' 2' ' ' ASP . . . 78.74 -87.55 1.15 Allowed Glycine 0 CA--C 1.523 0.584 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 56.9 m -84.9 -72.01 0.5 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.815 0.341 . . . . 0.0 110.58 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -167.49 -145.9 4.69 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.876 -0.89 . . . . 0.0 110.876 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.807 ' O ' ' CB ' ' A' ' 7' ' ' GLN . 0.4 OUTLIER -146.35 95.58 2.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.825 0.345 . . . . 0.0 110.702 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.923 ' H ' ' CD ' ' A' ' 8' ' ' PRO . 8.4 tp-100 119.21 34.49 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.597 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.923 ' CD ' ' H ' ' A' ' 7' ' ' GLN . 56.3 Cg_endo -75.71 133.97 16.15 Favored 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 122.874 2.383 . . . . 0.0 112.05 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 32.0 mtp180 -78.36 85.16 4.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.609 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.637 ' O ' ' C ' ' A' ' 11' ' ' GLY . . . 168.94 28.86 0.02 OUTLIER Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.637 ' C ' ' O ' ' A' ' 10' ' ' GLY . . . -14.59 119.71 0.01 OUTLIER Glycine 0 CA--C 1.524 0.65 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.829 ' N ' ' HD3' ' A' ' 13' ' ' PRO . . . 75.02 36.66 45.8 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.829 ' HD3' ' N ' ' A' ' 12' ' ' GLY . 52.6 Cg_exo -50.38 -41.43 51.45 Favored 'Trans proline' 0 C--N 1.304 -1.766 0 C-N-CA 122.859 2.373 . . . . 0.0 112.128 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.506 ' O ' ' OG1' ' A' ' 14' ' ' THR . 0.6 OUTLIER -85.94 46.34 1.31 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.561 -179.94 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 13.9 p -92.54 -166.34 1.52 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.605 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.1 m -85.13 -2.89 58.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.585 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.407 ' OE1' ' HA ' ' A' ' 17' ' ' GLU . 66.7 mm-40 -87.96 -48.19 7.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.591 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 68.4 tp60 -68.17 -22.68 64.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.63 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 69.4 mt -82.5 -56.68 5.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.531 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 27.5 ttt -51.93 -36.97 50.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.5 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.486 ' O ' HD13 ' A' ' 25' ' ' LEU . 27.4 mmtp -66.71 -46.91 74.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.502 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.501 HG22 ' O ' ' A' ' 22' ' ' THR . 88.1 m -72.14 -6.48 42.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.531 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -80.69 -54.01 3.83 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.869 ' O ' ' HB3' ' A' ' 28' ' ' GLN . . . -78.72 -8.72 59.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.791 0.329 . . . . 0.0 110.462 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.547 ' O ' ' C ' ' A' ' 26' ' ' LEU . 2.6 mp -86.99 -81.15 0.23 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.55 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.547 ' C ' ' O ' ' A' ' 25' ' ' LEU . 50.3 tp -26.41 -65.94 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.583 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.552 ' N ' HD12 ' A' ' 27' ' ' LEU . 10.6 mp -51.07 -58.08 7.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.569 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.869 ' HB3' ' O ' ' A' ' 24' ' ' ALA . 0.4 OUTLIER -47.27 -17.82 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.554 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.546 ' O ' ' N ' ' A' ' 31' ' ' ILE . . . -88.9 -72.84 1.28 Allowed Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.849 -0.9 . . . . 0.0 110.849 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -42.13 -18.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.798 0.332 . . . . 0.0 110.578 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.546 ' N ' ' O ' ' A' ' 29' ' ' GLY . 71.8 mt -76.98 -69.29 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.505 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.531 ' CD ' ' O ' ' A' ' 32' ' ' GLN . 5.3 pp0? -78.86 30.12 0.2 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.532 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.412 ' H ' ' C ' ' A' ' 31' ' ' ILE . 67.4 t0 -113.03 -50.94 2.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.58 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.428 ' NH2' ' OD2' ' A' ' 71' ' ' ASP . 16.1 ptm180 -91.42 -26.96 18.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.576 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.463 ' CB ' HD22 ' A' ' 122' ' ' LEU . . . -98.9 -13.19 20.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.516 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -75.13 159.32 51.71 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 27.1 mmt180 -65.49 -96.41 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.856 0.36 . . . . 0.0 110.604 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 88.9 mtp -139.28 135.83 34.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.566 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 79.26 4.82 89.15 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 65.16 72.27 0.75 Allowed Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -73.31 -36.77 66.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.816 0.341 . . . . 0.0 110.542 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.686 ' HB1' ' O ' ' A' ' 45' ' ' LEU . . . 63.9 48.68 0.88 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.571 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.606 ' HD3' ' N ' ' A' ' 42' ' ' ALA . 63.4 Cg_exo -45.98 -74.92 0.04 OUTLIER 'Trans proline' 0 C--N 1.306 -1.663 0 C-N-CA 122.813 2.342 . . . . 0.0 112.067 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.68 ' H ' ' CD ' ' A' ' 44' ' ' GLU . 1.4 pm0 -79.32 -19.5 50.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.461 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.686 ' O ' ' HB1' ' A' ' 42' ' ' ALA . 14.0 tp -87.58 75.74 9.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.535 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -88.59 131.99 34.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.56 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.424 HD12 ' HA ' ' A' ' 47' ' ' LEU . 18.7 tp -168.86 -88.63 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.595 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.614 ' N ' ' HD3' ' A' ' 49' ' ' PRO . 14.0 t70 -169.25 54.08 0.24 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.592 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.614 ' HD3' ' N ' ' A' ' 48' ' ' ASP . 32.2 Cg_exo -54.02 -177.3 0.04 OUTLIER 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 122.75 2.3 . . . . 0.0 112.052 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.622 ' N ' ' HD3' ' A' ' 51' ' ' PRO . 8.5 t 70.13 51.82 0.4 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.684 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.622 ' HD3' ' N ' ' A' ' 50' ' ' VAL . 53.1 Cg_exo -50.63 150.11 12.62 Favored 'Trans proline' 0 C--N 1.306 -1.692 0 C-N-CA 122.685 2.256 . . . . 0.0 112.081 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 29.5 pt20 -99.99 -28.53 13.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.556 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.471 ' OD2' ' OG ' ' A' ' 55' ' ' SER . 67.3 t0 -91.05 132.57 35.93 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.587 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.441 ' N ' ' OD1' ' A' ' 53' ' ' ASP . . . -81.32 -1.18 44.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.585 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.471 ' OG ' ' OD2' ' A' ' 53' ' ' ASP . 77.3 p -61.54 -38.86 88.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.578 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.7 m -83.58 -33.8 25.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.614 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 64.4 mmtt -49.77 -55.17 15.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.558 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 30.5 ttpt -59.32 -48.32 82.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.566 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.626 ' O ' HD23 ' A' ' 59' ' ' LEU . 0.8 OUTLIER -61.44 -26.13 67.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.601 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.4 t -71.63 -35.22 70.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.534 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 76.1 mt-10 -64.13 -31.57 72.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.559 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.441 ' O ' HG22 ' A' ' 66' ' ' ILE . 91.5 m -64.38 -37.79 88.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.591 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.486 ' N ' HD12 ' A' ' 63' ' ' LEU . 8.6 mp -75.33 -24.64 57.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.524 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -84.25 -36.75 22.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.591 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.445 ' O ' ' OE2' ' A' ' 69' ' ' GLU . 99.7 mtt180 -68.45 -44.49 74.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.555 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.441 HG22 ' O ' ' A' ' 62' ' ' CYS . 20.6 tt -76.41 -35.1 26.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.591 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.424 ' O ' ' CB ' ' A' ' 71' ' ' ASP . . . -60.99 -45.44 96.6 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.438 ' OD1' ' O ' ' A' ' 68' ' ' ASP . 68.2 t0 -62.74 -34.29 76.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.747 0.308 . . . . 0.0 110.595 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.534 ' OE1' ' N ' ' A' ' 69' ' ' GLU . 0.3 OUTLIER -79.62 -58.51 3.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.577 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.09 -43.12 73.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.609 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.428 ' OD2' ' NH2' ' A' ' 34' ' ' ARG . 54.0 t0 -65.06 -8.71 17.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.622 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.6 t -96.38 6.99 47.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.559 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -92.94 111.53 23.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.581 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 96.7 mmm -68.36 -11.14 59.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.626 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -80.42 -67.26 0.79 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.542 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 7.3 tp -59.83 -40.26 87.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.585 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 4.3 tm0? -61.8 -37.96 86.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.522 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 76.3 ttt180 -68.45 -44.87 73.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.653 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.488 ' SD ' HG23 ' A' ' 182' ' ' THR . 74.4 mtp -54.51 -43.99 72.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.532 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.644 ' O ' HG12 ' A' ' 83' ' ' VAL . 84.3 mt -62.33 -23.68 32.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.605 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -86.1 -18.68 31.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.576 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -86.43 -15.41 40.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.566 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.887 ' O ' HG13 ' A' ' 83' ' ' VAL . 8.0 p -89.37 82.46 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.566 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.451 ' O ' ' O ' ' A' ' 83' ' ' VAL . 50.1 p30 -39.9 162.76 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.534 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 61.7 p -120.04 118.62 31.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.595 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -147.6 -0.35 0.65 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.528 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.701 ' O ' HG12 ' A' ' 91' ' ' VAL . 31.7 t -176.0 90.11 0.28 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.534 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.485 ' O ' ' CB ' ' A' ' 92' ' ' PHE . 41.0 Cg_endo -70.76 -14.14 32.7 Favored 'Trans proline' 0 C--N 1.304 -1.797 0 C-N-CA 122.792 2.328 . . . . 0.0 112.086 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 33.9 ptt-85 -86.83 -34.46 19.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.484 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -79.55 -57.7 3.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.588 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.701 HG12 ' O ' ' A' ' 87' ' ' SER . 10.1 p -56.87 -51.24 70.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.517 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.66 ' N ' HG13 ' A' ' 91' ' ' VAL . 85.4 t80 -46.42 -51.84 14.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.472 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -68.24 -30.38 69.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.475 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 15.8 tpp180 -71.74 -57.72 4.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.555 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.615 HG23 ' N ' ' A' ' 96' ' ' ALA . 28.5 m -59.47 -47.98 88.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.537 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.615 ' N ' HG23 ' A' ' 95' ' ' VAL . . . -55.22 -27.76 48.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.548 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -81.78 -38.76 25.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.577 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 99' ' ' MET . 99.9 m-20 -63.3 -38.6 91.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.537 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' MET . . . . . 0.552 ' HB2' HH21 ' A' ' 109' ' ' ARG . 63.7 mtt -38.48 -68.76 0.14 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.542 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.604 ' CD2' ' O ' ' A' ' 100' ' ' PHE . 17.1 p90 -111.34 57.44 0.63 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.528 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.2 t -74.63 -26.84 60.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.527 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.554 ' O ' ' C ' ' A' ' 103' ' ' GLY . 55.1 p-10 -155.58 -18.39 0.11 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.58 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.554 ' C ' ' O ' ' A' ' 102' ' ' ASP . . . -26.31 -80.71 0.01 OUTLIER Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ASN . . . . . 0.607 ' O ' ' CG ' ' A' ' 105' ' ' PHE . 8.5 m-20 174.53 34.34 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.825 0.345 . . . . 0.0 110.598 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.607 ' CG ' ' O ' ' A' ' 104' ' ' ASN . 29.0 p90 42.64 28.97 0.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.57 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.522 ' CG ' ' H ' ' A' ' 107' ' ' TRP . 29.1 p30 -52.09 -110.58 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.548 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' TRP . . . . . 0.548 ' NE1' HG21 ' A' ' 110' ' ' VAL . 6.8 t90 174.8 -26.31 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.583 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.592 ' O ' HG12 ' A' ' 111' ' ' VAL . . . -49.91 -42.2 37.88 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.552 HH21 ' HB2' ' A' ' 99' ' ' MET . 0.0 OUTLIER -48.05 -26.27 1.75 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.851 0.357 . . . . 0.0 110.581 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.548 HG21 ' NE1' ' A' ' 107' ' ' TRP . 33.0 t -52.43 -57.88 3.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.563 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.592 HG12 ' O ' ' A' ' 108' ' ' GLY . 4.7 p -45.31 -46.63 3.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.545 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.574 ' N ' HG13 ' A' ' 111' ' ' VAL . . . -58.21 -35.21 71.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.516 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.668 ' O ' HD23 ' A' ' 113' ' ' LEU . 2.1 tt -56.69 -46.89 80.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.503 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.446 ' CZ ' ' CG1' ' A' ' 110' ' ' VAL . 10.0 m-85 -57.05 -44.17 82.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.471 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 92.7 t80 -68.0 -43.78 78.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.511 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.453 ' CE2' HG21 ' A' ' 95' ' ' VAL . 92.9 t80 -58.89 -41.93 88.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.57 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -70.83 -32.62 69.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.53 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 4.9 t -48.53 -44.6 36.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.593 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.817 ' O ' ' CB ' ' A' ' 123' ' ' LYS . 55.4 mmtt -59.44 -43.69 93.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.578 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 53.7 mt -68.05 -31.68 71.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.544 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.423 ' CG2' HG21 ' A' ' 136' ' ' ILE . 78.6 t -76.83 -53.31 15.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.608 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.463 HD22 ' CB ' ' A' ' 35' ' ' ALA . 71.8 mt -73.03 -41.05 64.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.621 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.817 ' CB ' ' O ' ' A' ' 119' ' ' LYS . 38.6 ttmt -58.09 -41.16 82.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.616 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.519 ' O ' ' OG1' ' A' ' 127' ' ' THR . . . -75.48 -22.14 57.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.56 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.464 HD13 ' HG3' ' A' ' 44' ' ' GLU . 33.8 tp -63.03 -32.06 73.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.513 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 126' ' ' CYS . . . . . 0.474 ' SG ' ' N ' ' A' ' 127' ' ' THR . 0.1 OUTLIER -83.3 -35.79 24.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.494 -179.914 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.742 ' O ' ' HB2' ' A' ' 128' ' ' LYS . 36.0 p -53.45 -18.57 2.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.579 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.742 ' HB2' ' O ' ' A' ' 127' ' ' THR . 53.6 mttp 87.72 43.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.575 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.515 ' CG2' ' OG1' ' A' ' 127' ' ' THR . 0.2 OUTLIER -147.07 91.47 5.14 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.67 -179.944 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 130' ' ' PRO . . . . . 0.973 ' O ' HG12 ' A' ' 133' ' ' ILE . 53.1 Cg_endo -73.6 -12.93 24.81 Favored 'Trans proline' 0 C--N 1.306 -1.702 0 C-N-CA 122.836 2.357 . . . . 0.0 112.039 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 46.5 tt0 -65.94 -40.1 91.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.52 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 8.5 mp -62.1 -33.95 75.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.517 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.973 HG12 ' O ' ' A' ' 130' ' ' PRO . 2.3 pt -56.83 -50.25 75.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.482 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 134' ' ' ARG . . . . . 0.641 ' N ' ' CG1' ' A' ' 133' ' ' ILE . 42.9 ttm180 -68.86 -34.72 75.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.528 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 8.2 m -67.45 -31.68 72.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.553 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.423 HG21 ' CG2' ' A' ' 121' ' ' VAL . 46.9 mt -70.06 -58.61 5.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.494 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 95.0 mtp -46.65 -25.54 0.74 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.482 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -68.74 -40.36 85.38 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 139' ' ' TRP . . . . . 0.507 ' CD1' ' N ' ' A' ' 139' ' ' TRP . 13.4 m0 -66.32 -24.49 66.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.851 0.357 . . . . 0.0 110.539 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 140' ' ' THR . . . . . 0.478 ' OG1' ' N ' ' A' ' 141' ' ' LEU . 20.3 p -75.51 -65.83 0.85 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.563 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.478 ' N ' ' OG1' ' A' ' 140' ' ' THR . 55.2 mt -51.82 -33.59 36.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.531 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -65.8 -50.97 62.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.599 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 143' ' ' PHE . . . . . 0.431 ' O ' ' HB2' ' A' ' 147' ' ' ARG . 5.4 t80 -66.84 -38.96 87.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.502 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.581 HD12 ' HB2' ' A' ' 148' ' ' LEU . 1.8 tp -71.04 -35.5 71.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.561 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 59.1 ttp180 -83.01 -10.65 58.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.537 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -112.09 -4.63 14.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.484 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 147' ' ' ARG . . . . . 1.146 ' O ' ' N ' ' A' ' 149' ' ' LEU . 11.5 mtp180 -142.17 -110.83 0.13 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.584 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 148' ' ' LEU . . . . . 0.816 ' H ' HD22 ' A' ' 148' ' ' LEU . 1.0 OUTLIER -15.48 -27.73 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.563 -179.951 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 149' ' ' LEU . . . . . 1.146 ' N ' ' O ' ' A' ' 147' ' ' ARG . 57.3 tp -49.01 -56.31 9.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.683 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -63.91 -50.55 60.23 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 151' ' ' TRP . . . . . . . . . . . . . 99.5 m95 -66.3 -55.79 14.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.87 0.367 . . . . 0.0 110.632 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 152' ' ' ILE . . . . . 0.701 ' N ' ' O ' ' A' ' 148' ' ' LEU . 10.5 tt -51.34 -34.34 14.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.597 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 153' ' ' GLN . . . . . 0.54 ' OE1' HD11 ' A' ' 149' ' ' LEU . 11.1 mt-30 -67.41 -31.37 71.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.554 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 53.6 t0 -88.92 -4.61 58.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.558 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -97.49 0.8 48.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.582 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 83.69 24.69 49.02 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 89.74 -160.43 28.84 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 158' ' ' TRP . . . . . 0.451 ' CD1' HD11 ' A' ' 152' ' ' ILE . 37.0 m95 -73.79 -5.85 43.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.801 0.334 . . . . 0.0 110.554 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -60.8 -42.42 97.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.539 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -54.45 -32.34 52.44 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 161' ' ' LEU . . . . . 0.583 ' O ' HD23 ' A' ' 161' ' ' LEU . 2.0 tt -62.72 -54.2 42.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.854 0.359 . . . . 0.0 110.6 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 47.6 tp -66.77 -31.34 71.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.588 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 6.1 t -66.55 -26.68 67.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.531 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 94.1 t80 -76.03 -42.85 46.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.584 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -71.75 47.91 0.15 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.597 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -130.68 39.16 1.83 Allowed Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 167' ' ' THR . . . . . 1.138 ' OG1' ' HD2' ' A' ' 168' ' ' PRO . 0.6 OUTLIER -108.64 -177.24 0.46 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 120.909 0.385 . . . . 0.0 110.564 -179.949 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 168' ' ' PRO . . . . . 1.138 ' HD2' ' OG1' ' A' ' 167' ' ' THR . 58.6 Cg_endo -76.51 -147.38 0.03 OUTLIER 'Trans proline' 0 C--N 1.305 -1.728 0 C-N-CA 122.81 2.34 . . . . 0.0 112.132 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 169' ' ' THR . . . . . 0.602 ' C ' ' O ' ' A' ' 168' ' ' PRO . 80.3 p -21.08 99.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.581 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 170' ' ' TRP . . . . . 0.686 ' O ' HG22 ' A' ' 173' ' ' VAL . 32.4 p90 -63.64 -18.66 64.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.571 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 171' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.02 -13.88 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.589 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 172' ' ' THR . . . . . 0.524 ' O ' HG22 ' A' ' 175' ' ' ILE . 4.7 m -87.47 -29.53 21.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.526 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 173' ' ' VAL . . . . . 0.686 HG22 ' O ' ' A' ' 170' ' ' TRP . 2.0 m -72.05 -45.59 62.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.619 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 174' ' ' THR . . . . . 0.558 ' N ' ' CG2' ' A' ' 173' ' ' VAL . 25.1 m -64.61 -24.88 67.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.589 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 175' ' ' ILE . . . . . 0.524 HG22 ' O ' ' A' ' 172' ' ' THR . 1.7 tt -85.8 -7.49 10.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.535 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 176' ' ' PHE . . . . . 0.478 ' O ' HG12 ' A' ' 180' ' ' VAL . 64.4 t80 -94.64 -60.16 1.77 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.544 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 3.2 m -62.09 -16.76 16.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.5 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 178' ' ' ALA . . . . . 0.626 ' O ' ' OG1' ' A' ' 182' ' ' THR . . . -95.47 -45.9 6.9 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.605 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -62.33 -26.24 67.69 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 180' ' ' VAL . . . . . 0.696 HG13 ' N ' ' A' ' 181' ' ' LEU . 13.6 p -86.17 -51.67 12.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.761 0.315 . . . . 0.0 110.573 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 181' ' ' LEU . . . . . 0.696 ' N ' HG13 ' A' ' 180' ' ' VAL . 40.6 tp -69.3 -48.01 62.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.585 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 182' ' ' THR . . . . . 0.626 ' OG1' ' O ' ' A' ' 178' ' ' ALA . 25.3 m -50.5 -51.4 47.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.515 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -47.33 -45.76 24.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.548 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 184' ' ' SER . . . . . . . . . . . . . 28.3 t -54.46 -37.89 65.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.506 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 60.4 mt -77.64 -21.76 51.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.542 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 21.8 m -73.22 -44.86 58.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.563 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 187' ' ' ILE . . . . . 0.638 HG23 ' N ' ' A' ' 188' ' ' TRP . 12.7 tt -73.67 -51.63 24.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.546 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 188' ' ' TRP . . . . . 0.638 ' N ' HG23 ' A' ' 187' ' ' ILE . 0.2 OUTLIER -30.75 -56.87 0.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.608 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 7.8 mmtt -175.81 128.24 0.24 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.57 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 190' ' ' LYS . . . . . . . . . . . . . 35.2 pttt -109.83 89.56 3.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.551 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 191' ' ' MET . . . . . . . . . . . . . 84.6 mtp -128.64 136.59 50.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.557 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.739 0 CA-C-O 118.013 -1.437 . . . . 0.0 110.918 -179.982 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 130' ' ' CYS . . . . . 0.496 ' O ' ' SG ' ' B' ' 130' ' ' CYS . 46.1 t . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 131' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -72.03 -42.78 65.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.573 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -152.59 87.22 1.29 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.57 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 133' ' ' LEU . . . . . 0.492 HD22 ' N ' ' B' ' 133' ' ' LEU . 4.4 mm? 56.3 53.57 8.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.592 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 134' ' ' LYS . . . . . 0.464 ' HB3' ' O ' ' B' ' 133' ' ' LEU . 64.1 tttm 66.62 -83.73 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.578 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 135' ' ' LYS . . . . . 0.408 ' CG ' ' O ' ' B' ' 134' ' ' LYS . 51.8 mtmt -158.12 134.59 9.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.612 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 136' ' ' ALA . . . . . . . . . . . . . . . -72.73 143.78 47.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.549 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 40.4 mt -83.79 80.69 9.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.592 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 138' ' ' ARG . . . . . . . . . . . . . 83.6 mtt85 -64.2 -34.16 77.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.509 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 139' ' ' ARG . . . . . . . . . . . . . 83.5 mtp180 -61.61 -45.15 95.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.577 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 140' ' ' HIS . . . . . 0.713 ' O ' ' N ' ' B' ' 143' ' ' LEU . 61.1 m80 -78.78 -66.55 0.85 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.541 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 141' ' ' ARG . . . . . 0.496 ' C ' ' O ' ' B' ' 140' ' ' HIS . 71.9 ttp85 -31.62 -33.76 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.521 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 142' ' ' PHE . . . . . 0.58 ' N ' ' O ' ' B' ' 140' ' ' HIS . 13.1 t80 -90.3 -33.22 16.19 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.432 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 143' ' ' LEU . . . . . 0.713 ' N ' ' O ' ' B' ' 140' ' ' HIS . 33.6 tp -54.42 -36.47 64.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.488 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 144' ' ' TRP . . . . . 0.487 ' O ' ' C ' ' B' ' 145' ' ' GLN . 66.4 t-105 -84.82 -56.73 3.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.471 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 145' ' ' GLN . . . . . 0.487 ' C ' ' O ' ' B' ' 144' ' ' TRP . 13.3 tm0? -32.81 -65.81 0.15 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.503 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 146' ' ' ARG . . . . . 0.467 ' HG2' ' H ' ' B' ' 148' ' ' GLN . 62.5 ttm-85 -56.42 141.53 41.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.536 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 147' ' ' ARG . . . . . . . . . . . . . 85.8 mtm-85 -54.58 -42.16 70.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.518 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 148' ' ' GLN . . . . . 0.476 ' C ' ' N ' ' B' ' 150' ' ' ALA . 43.4 mm-40 49.88 37.65 14.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.524 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 21.2 mmt85 47.96 13.85 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.577 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 150' ' ' ALA . . . . . 0.476 ' N ' ' C ' ' B' ' 148' ' ' GLN . . . . . . . . 0 C--O 1.221 -0.424 0 CA-C-O 117.959 -1.02 . . . . 0.0 110.53 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.5 ptt? . . . . . 0 N--CA 1.489 1.518 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 1.007 ' OD1' ' N ' ' A' ' 3' ' ' GLY . 50.6 p-10 -61.97 -58.33 8.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.542 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 1.007 ' N ' ' OD1' ' A' ' 2' ' ' ASP . . . 79.77 -49.83 3.75 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 70.2 m -122.05 -40.52 2.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.745 0.307 . . . . 0.0 110.627 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 158.7 171.49 24.6 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.999 ' O ' ' HB3' ' A' ' 7' ' ' GLN . 0.7 OUTLIER -117.03 98.66 6.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.821 0.343 . . . . 0.0 110.56 -179.944 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.999 ' HB3' ' O ' ' A' ' 6' ' ' GLU . 34.7 tp60 100.38 69.95 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.532 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 1.144 ' O ' ' O ' ' A' ' 9' ' ' ARG . 51.1 Cg_exo -47.86 142.84 14.17 Favored 'Trans proline' 0 C--N 1.303 -1.853 0 C-N-CA 122.848 2.366 . . . . 0.0 112.125 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 1.144 ' O ' ' O ' ' A' ' 8' ' ' PRO . 24.5 mtp180 0.97 147.88 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.425 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -144.24 -31.79 0.09 OUTLIER Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -49.4 103.08 0.07 OUTLIER Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.506 ' H ' ' HD3' ' A' ' 13' ' ' PRO . . . 109.05 69.64 0.65 Allowed Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 1.334 ' O ' ' N ' ' A' ' 15' ' ' SER . 48.8 Cg_exo -51.46 -81.92 0.01 OUTLIER 'Trans proline' 0 C--N 1.304 -1.768 0 C-N-CA 122.723 2.282 . . . . 0.0 112.068 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.609 ' C ' ' O ' ' A' ' 13' ' ' PRO . 32.7 p -19.29 47.16 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.623 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' SER . . . . . 1.334 ' N ' ' O ' ' A' ' 13' ' ' PRO . 1.5 p -118.94 -149.63 0.44 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.522 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.518 ' H ' ' HB2' ' A' ' 15' ' ' SER . 21.2 m -102.11 -13.46 17.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.656 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -80.6 -49.46 11.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.655 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.515 ' HG3' ' HB3' ' A' ' 13' ' ' PRO . 98.8 mm-40 -66.48 -22.78 66.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.653 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.936 HD12 ' O ' ' A' ' 15' ' ' SER . 27.4 mt -82.06 -54.92 8.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.564 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 88.9 mtp -53.6 -36.22 61.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.542 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 23.0 mmtp -67.6 -46.02 73.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.529 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.465 HG22 ' O ' ' A' ' 22' ' ' THR . 52.3 m -72.51 -7.65 51.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.506 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -79.8 -53.82 4.14 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.904 -0.879 . . . . 0.0 110.904 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.498 ' O ' ' CG ' ' A' ' 28' ' ' GLN . . . -78.38 -9.36 59.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.793 0.33 . . . . 0.0 110.477 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.551 ' O ' ' C ' ' A' ' 26' ' ' LEU . 34.7 tp -86.59 -81.04 0.23 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.521 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.551 ' C ' ' O ' ' A' ' 25' ' ' LEU . 45.0 tp -26.73 -65.83 0.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.513 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.531 ' O ' HG12 ' A' ' 31' ' ' ILE . 51.5 mt -51.1 -58.07 7.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.53 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.695 HE22 ' HG ' ' A' ' 47' ' ' LEU . 22.9 mt-30 -47.36 -17.96 0.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.537 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.542 ' O ' ' N ' ' A' ' 31' ' ' ILE . . . -88.68 -72.76 1.28 Allowed Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 38.8 t80 -42.27 -18.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.812 0.339 . . . . 0.0 110.576 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.542 ' N ' ' O ' ' A' ' 29' ' ' GLY . 30.3 mm -77.13 -69.21 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.582 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.602 ' HG2' ' O ' ' A' ' 32' ' ' GLN . 50.2 tt0 -78.83 30.07 0.2 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.59 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.413 ' H ' ' C ' ' A' ' 31' ' ' ILE . 49.9 t0 -113.1 -50.75 2.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.574 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 15.4 ptm180 -91.6 -27.12 18.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.553 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.473 ' CB ' HD22 ' A' ' 122' ' ' LEU . . . -98.53 -14.38 20.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.595 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -81.72 178.19 53.78 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 38.3 ptt180 -144.95 -179.02 6.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.81 0.338 . . . . 0.0 110.583 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 4.8 tpp -75.04 122.23 23.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.58 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.444 ' O ' ' N ' ' A' ' 41' ' ' GLU . . . 98.74 -36.45 4.01 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 67.99 -58.88 0.38 Allowed Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 39' ' ' GLY . 97.0 mt-10 56.9 83.13 0.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.801 0.334 . . . . 0.0 110.669 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.574 ' N ' ' HD3' ' A' ' 43' ' ' PRO . . . 59.72 53.97 4.18 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.607 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.574 ' HD3' ' N ' ' A' ' 42' ' ' ALA . 51.8 Cg_exo -49.72 159.72 1.42 Allowed 'Trans proline' 0 C--N 1.306 -1.708 0 C-N-CA 122.77 2.313 . . . . 0.0 112.091 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 51.5 mp0 -94.19 -9.13 37.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.506 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.48 HD21 ' O ' ' A' ' 28' ' ' GLN . 23.3 tp -105.36 67.71 0.78 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.518 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.805 ' O ' ' CB ' ' A' ' 47' ' ' LEU . . . -77.08 138.23 39.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.535 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 1.044 ' O ' ' HD3' ' A' ' 49' ' ' PRO . 64.9 tp 136.62 -54.5 0.01 OUTLIER 'General case' 0 CA--C 1.587 2.401 1 CA-C-O 106.478 -6.487 . . . . 0.0 101.611 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -41.25 88.37 0.04 OUTLIER Pre-proline 0 C--N 1.259 -3.333 1 O-C-N 131.408 5.442 . . . . 0.0 110.575 -168.733 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 1.044 ' HD3' ' O ' ' A' ' 47' ' ' LEU . 50.2 Cg_exo -48.61 147.51 9.42 Favored 'Trans proline' 0 C--N 1.305 -1.713 0 C-N-CA 122.788 2.325 . . . . 0.0 112.166 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.811 ' HB ' ' HD2' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -36.84 176.33 0.0 OUTLIER Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.525 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.811 ' HD2' ' HB ' ' A' ' 50' ' ' VAL . 50.0 Cg_endo -72.7 121.06 7.07 Favored 'Trans proline' 0 C--N 1.304 -1.769 0 C-N-CA 122.828 2.352 . . . . 0.0 112.142 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.474 ' O ' ' O ' ' A' ' 53' ' ' ASP . 51.5 tp60 -147.66 142.3 26.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.59 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.474 ' O ' ' O ' ' A' ' 52' ' ' GLN . 54.1 t0 58.05 127.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.568 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -88.54 -1.68 58.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.61 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 12.0 t -59.15 -39.37 82.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.539 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 10.5 m -82.04 -33.61 29.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.563 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -50.31 -54.74 19.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.661 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -59.83 -48.11 83.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.536 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.63 ' O ' HD23 ' A' ' 59' ' ' LEU . 0.8 OUTLIER -61.65 -26.2 67.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.536 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.5 t -71.54 -35.23 70.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.544 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -64.01 -31.71 73.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.551 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 94.4 m -64.23 -37.8 88.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.605 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.429 ' N ' HD12 ' A' ' 63' ' ' LEU . 10.8 mp -75.36 -24.67 57.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.53 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -84.29 -36.72 22.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.557 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.435 ' O ' ' OE2' ' A' ' 69' ' ' GLU . 99.6 mtt180 -68.46 -44.47 74.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.575 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 19.4 tt -76.48 -35.02 25.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.574 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.425 ' O ' ' CB ' ' A' ' 71' ' ' ASP . . . -61.04 -45.38 96.7 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.437 ' OD1' ' O ' ' A' ' 68' ' ' ASP . 68.5 t0 -62.75 -34.37 77.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.852 0.358 . . . . 0.0 110.569 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.547 ' OE1' ' N ' ' A' ' 69' ' ' GLU . 0.3 OUTLIER -79.55 -58.49 3.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.609 179.949 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 2.1 mt -55.22 -43.07 74.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.538 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.425 ' CB ' ' O ' ' A' ' 67' ' ' GLY . 51.4 t0 -65.01 -8.76 17.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.623 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.6 t -96.4 7.08 47.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.61 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -92.99 111.55 23.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.531 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 77.8 mtm -68.41 -11.12 59.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.56 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 -80.43 -67.36 0.78 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.552 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 52.5 tp -59.66 -40.42 87.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.618 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.851 HE22 ' HZ2' ' A' ' 119' ' ' LYS . 67.6 tp60 -61.72 -37.95 86.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.536 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 77.8 ttt180 -68.49 -44.96 73.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.552 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.442 ' SD ' HG23 ' A' ' 182' ' ' THR . 66.0 mtp -54.51 -43.83 72.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.629 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.641 ' O ' HG12 ' A' ' 83' ' ' VAL . 87.9 mt -62.47 -23.64 32.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.59 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -85.98 -18.78 31.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.595 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -86.43 -15.34 40.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.57 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.878 ' O ' HG13 ' A' ' 83' ' ' VAL . 8.2 p -89.47 82.61 2.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.585 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.429 ' O ' ' O ' ' A' ' 83' ' ' VAL . 55.3 p-10 -40.3 162.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.567 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 64.3 p -119.61 119.42 33.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.616 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 -148.4 -0.18 0.57 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.489 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.686 ' O ' HG12 ' A' ' 91' ' ' VAL . 44.0 t -176.04 88.7 0.28 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.504 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.487 ' O ' ' CB ' ' A' ' 92' ' ' PHE . 37.4 Cg_endo -69.37 -14.56 37.54 Favored 'Trans proline' 0 C--N 1.306 -1.692 0 C-N-CA 122.829 2.352 . . . . 0.0 112.068 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 34.2 ptt-85 -86.42 -35.06 19.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.55 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -78.92 -57.9 3.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.528 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.686 HG12 ' O ' ' A' ' 87' ' ' SER . 10.3 p -56.71 -51.63 64.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.532 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.665 ' N ' HG13 ' A' ' 91' ' ' VAL . 71.8 t80 -46.02 -52.12 12.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.473 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 91.3 t80 -68.29 -29.95 68.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.432 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 15.3 tpp180 -71.98 -57.18 4.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.495 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.613 HG23 ' N ' ' A' ' 96' ' ' ALA . 28.1 m -60.16 -47.8 90.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.45 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.613 ' N ' HG23 ' A' ' 95' ' ' VAL . . . -55.34 -27.71 48.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.469 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -81.71 -38.86 25.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.522 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.407 ' O ' ' C ' ' A' ' 99' ' ' MET . 99.4 m-20 -63.25 -38.58 91.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.612 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' MET . . . . . 0.543 ' HB2' HH21 ' A' ' 109' ' ' ARG . 64.8 mtt -38.44 -68.72 0.15 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.559 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.6 ' CD2' ' O ' ' A' ' 100' ' ' PHE . 17.2 p90 -111.39 57.42 0.63 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.544 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.2 t -74.59 -26.84 60.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.579 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.531 ' O ' ' C ' ' A' ' 103' ' ' GLY . 55.6 p-10 -155.64 -18.29 0.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.542 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.531 ' C ' ' O ' ' A' ' 102' ' ' ASP . . . -26.45 -80.61 0.01 OUTLIER Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.916 -0.873 . . . . 0.0 110.916 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ASN . . . . . 0.606 ' O ' ' CG ' ' A' ' 105' ' ' PHE . 8.3 m-20 174.47 34.35 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.764 0.316 . . . . 0.0 110.587 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.606 ' CG ' ' O ' ' A' ' 104' ' ' ASN . 29.5 p90 42.58 29.12 0.14 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.597 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.52 ' CG ' ' H ' ' A' ' 107' ' ' TRP . 28.5 p30 -52.1 -110.54 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.499 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' TRP . . . . . 0.541 ' HE1' HD12 ' A' ' 148' ' ' LEU . 6.5 t90 174.66 -26.13 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.587 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.588 ' O ' HG12 ' A' ' 111' ' ' VAL . . . -50.12 -42.12 39.59 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.934 -0.867 . . . . 0.0 110.934 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.543 HH21 ' HB2' ' A' ' 99' ' ' MET . 0.0 OUTLIER -48.14 -26.1 1.74 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.775 0.322 . . . . 0.0 110.522 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.539 HG21 ' NE1' ' A' ' 107' ' ' TRP . 36.2 t -52.52 -57.86 3.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.582 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.588 HG12 ' O ' ' A' ' 108' ' ' GLY . 4.7 p -45.35 -46.71 3.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.503 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.579 ' N ' HG13 ' A' ' 111' ' ' VAL . . . -58.08 -35.25 71.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.471 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.674 ' O ' HD23 ' A' ' 113' ' ' LEU . 2.1 tt -56.73 -46.83 81.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.581 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.412 ' CZ ' ' CG1' ' A' ' 110' ' ' VAL . 10.8 m-85 -57.12 -44.09 82.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.607 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 93.1 t80 -67.98 -43.71 78.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.564 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.443 ' CE2' HG21 ' A' ' 95' ' ' VAL . 92.2 t80 -58.94 -42.01 88.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.536 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.474 ' O ' HG23 ' A' ' 121' ' ' VAL . . . -70.74 -32.72 69.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.581 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 4.7 t -48.42 -44.53 35.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.625 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.851 ' HZ2' HE22 ' A' ' 77' ' ' GLN . 58.2 mmtt -59.6 -43.67 93.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.569 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 52.9 mt -67.94 -31.63 71.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.526 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.743 HG13 HG23 ' A' ' 133' ' ' ILE . 60.9 t -76.92 -53.49 14.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.554 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.473 HD22 ' CB ' ' A' ' 35' ' ' ALA . 70.9 mt -72.91 -40.95 65.06 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.552 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.822 ' CB ' ' O ' ' A' ' 119' ' ' LYS . 88.7 tttt -58.03 -41.23 82.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.526 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.526 ' O ' ' OG1' ' A' ' 127' ' ' THR . . . -75.55 -22.18 57.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.578 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 50.5 tp -62.82 -32.29 73.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.629 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' CYS . . . . . 0.446 ' SG ' ' N ' ' A' ' 127' ' ' THR . 16.8 p -82.97 -36.0 25.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.582 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.748 ' O ' ' HB2' ' A' ' 128' ' ' LYS . 35.4 p -53.3 -19.12 2.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.557 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.748 ' HB2' ' O ' ' A' ' 127' ' ' THR . 62.1 mttm 87.84 44.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.487 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.492 ' CG2' ' OG1' ' A' ' 127' ' ' THR . 0.4 OUTLIER -147.73 89.92 5.26 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.609 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 130' ' ' PRO . . . . . 0.401 ' HA ' HG12 ' A' ' 133' ' ' ILE . 43.3 Cg_endo -71.58 -14.95 30.67 Favored 'Trans proline' 0 C--N 1.304 -1.775 0 C-N-CA 122.82 2.347 . . . . 0.0 112.067 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -64.6 -39.97 94.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.499 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 2.3 tp -62.24 -32.62 73.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.53 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.743 HG23 HG13 ' A' ' 121' ' ' VAL . 21.8 mm -58.72 -49.39 82.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.523 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 43.2 ttm180 -69.47 -34.67 74.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.439 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 24.2 m -67.28 -31.67 72.14 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.558 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.421 HG21 ' CG2' ' A' ' 121' ' ' VAL . 46.3 mt -70.03 -58.72 4.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.495 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 6.1 mtp -46.57 -25.4 0.69 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.526 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -68.76 -40.44 85.23 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.835 -0.906 . . . . 0.0 110.835 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -66.36 -24.47 66.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.801 0.334 . . . . 0.0 110.568 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 140' ' ' THR . . . . . 0.503 ' OG1' ' N ' ' A' ' 141' ' ' LEU . 15.4 p -75.46 -65.96 0.83 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.535 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.503 ' N ' ' OG1' ' A' ' 140' ' ' THR . 54.9 mt -51.71 -33.62 35.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.562 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -65.69 -51.08 62.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.6 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 143' ' ' PHE . . . . . 0.443 ' O ' ' HB2' ' A' ' 147' ' ' ARG . 5.9 t80 -66.81 -38.89 87.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.57 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.505 ' HA ' HD23 ' A' ' 148' ' ' LEU . 0.4 OUTLIER -71.04 -35.48 71.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.557 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 57.7 ttp180 -83.05 -10.72 58.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.54 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -112.04 -4.5 14.46 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.533 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 147' ' ' ARG . . . . . 1.152 ' O ' ' N ' ' A' ' 149' ' ' LEU . 10.6 mtp180 -142.25 -110.93 0.13 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.533 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 148' ' ' LEU . . . . . 0.844 ' H ' HD22 ' A' ' 148' ' ' LEU . 1.0 OUTLIER -15.42 -27.74 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.524 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 149' ' ' LEU . . . . . 1.152 ' N ' ' O ' ' A' ' 147' ' ' ARG . 56.2 tp -49.11 -56.28 9.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.565 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -63.97 -50.64 59.44 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 151' ' ' TRP . . . . . . . . . . . . . 30.6 m95 -66.16 -55.78 14.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.879 0.371 . . . . 0.0 110.689 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 152' ' ' ILE . . . . . 0.699 ' N ' ' O ' ' A' ' 148' ' ' LEU . 9.4 tt -51.34 -34.37 14.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.579 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 153' ' ' GLN . . . . . 0.516 ' OE1' HD11 ' A' ' 149' ' ' LEU . 10.9 mt-30 -67.44 -31.29 71.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.619 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -88.96 -4.59 58.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.623 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -97.5 0.74 48.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.541 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 83.72 24.59 49.25 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 89.85 -160.31 28.61 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 158' ' ' TRP . . . . . 0.465 ' HE1' HG23 ' A' ' 19' ' ' ILE . 55.7 m95 -74.02 -5.56 42.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.761 0.315 . . . . 0.0 110.548 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -60.85 -42.52 97.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.554 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -54.35 -32.19 51.55 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.951 -0.859 . . . . 0.0 110.951 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 161' ' ' LEU . . . . . 0.58 ' O ' HD23 ' A' ' 161' ' ' LEU . 1.9 tt -62.98 -54.17 42.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.814 0.34 . . . . 0.0 110.496 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 55.2 tp -66.84 -31.24 71.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.539 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 5.1 t -66.6 -26.6 67.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.554 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 93.1 t80 -76.17 -42.86 45.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.564 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -71.61 47.91 0.14 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.569 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -130.8 38.94 1.86 Allowed Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 167' ' ' THR . . . . . 1.088 ' OG1' ' HD2' ' A' ' 168' ' ' PRO . 0.6 OUTLIER -108.5 -179.0 0.62 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 120.913 0.387 . . . . 0.0 110.544 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 168' ' ' PRO . . . . . 1.088 ' HD2' ' OG1' ' A' ' 167' ' ' THR . 56.3 Cg_endo -74.61 -146.75 0.03 OUTLIER 'Trans proline' 0 C--N 1.305 -1.761 0 C-N-CA 122.86 2.374 . . . . 0.0 112.136 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 169' ' ' THR . . . . . 0.599 ' C ' ' O ' ' A' ' 168' ' ' PRO . 9.4 p -21.6 100.41 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.627 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 170' ' ' TRP . . . . . 0.688 ' O ' HG22 ' A' ' 173' ' ' VAL . 28.0 p90 -64.43 -18.59 64.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.534 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 171' ' ' GLN . . . . . 0.428 HE21 ' HB2' ' A' ' 171' ' ' GLN . 0.0 OUTLIER -47.29 -13.96 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.557 -179.955 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 172' ' ' THR . . . . . 0.528 ' O ' HG22 ' A' ' 175' ' ' ILE . 5.2 m -87.13 -29.47 21.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.52 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 173' ' ' VAL . . . . . 0.688 HG22 ' O ' ' A' ' 170' ' ' TRP . 2.1 m -72.09 -45.64 62.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.504 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 174' ' ' THR . . . . . 0.562 ' N ' ' CG2' ' A' ' 173' ' ' VAL . 25.2 m -64.56 -24.95 67.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.521 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 175' ' ' ILE . . . . . 0.528 HG22 ' O ' ' A' ' 172' ' ' THR . 1.8 tt -85.76 -7.53 10.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.57 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 176' ' ' PHE . . . . . 0.482 ' O ' HG12 ' A' ' 180' ' ' VAL . 63.6 t80 -94.56 -60.13 1.78 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.567 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 3.2 m -62.1 -16.72 16.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.573 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 178' ' ' ALA . . . . . 0.61 ' O ' ' OG1' ' A' ' 182' ' ' THR . . . -95.48 -45.98 6.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.527 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -62.29 -26.2 67.56 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 180' ' ' VAL . . . . . 0.697 HG13 ' N ' ' A' ' 181' ' ' LEU . 13.6 p -86.13 -51.8 12.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.885 0.374 . . . . 0.0 110.591 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 181' ' ' LEU . . . . . 0.697 ' N ' HG13 ' A' ' 180' ' ' VAL . 38.6 tp -69.32 -47.93 63.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.545 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 182' ' ' THR . . . . . 0.61 ' OG1' ' O ' ' A' ' 178' ' ' ALA . 27.7 m -50.55 -51.35 48.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.514 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -47.43 -45.69 25.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.533 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 184' ' ' SER . . . . . . . . . . . . . 28.7 t -54.47 -37.83 65.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.603 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 65.8 mt -77.62 -21.78 51.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.524 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 21.5 m -73.28 -44.77 58.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.597 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 187' ' ' ILE . . . . . 0.641 HG23 ' N ' ' A' ' 188' ' ' TRP . 12.7 tt -73.78 -51.56 24.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.573 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 188' ' ' TRP . . . . . 0.641 ' N ' HG23 ' A' ' 187' ' ' ILE . 0.1 OUTLIER -30.82 -56.89 0.22 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.575 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 8.0 mmtt -175.74 128.26 0.24 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.542 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 190' ' ' LYS . . . . . . . . . . . . . 14.4 ptmt -109.87 89.58 3.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.611 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 191' ' ' MET . . . . . . . . . . . . . 84.4 mtp -128.67 136.51 50.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.614 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.775 0 CA-C-O 118.044 -1.42 . . . . 0.0 110.895 -179.975 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 130' ' ' CYS . . . . . . . . . . . . . 5.8 t . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 131' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -70.51 -49.53 47.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.568 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -52.61 105.7 0.13 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.58 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 133' ' ' LEU . . . . . 0.415 ' HA ' HD12 ' B' ' 133' ' ' LEU . 37.8 tp -173.53 -79.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.522 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 134' ' ' LYS . . . . . . . . . . . . . 20.9 pttp -78.66 138.92 38.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.543 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 135' ' ' LYS . . . . . . . . . . . . . 61.7 pttt -92.23 -8.1 46.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.545 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 136' ' ' ALA . . . . . . . . . . . . . . . -61.83 92.15 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.577 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 69.4 mt -127.6 -144.37 0.29 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.525 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 138' ' ' ARG . . . . . . . . . . . . . 89.0 mtm180 -61.69 -39.33 91.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.487 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 139' ' ' ARG . . . . . . . . . . . . . 17.3 tpt180 -56.01 -46.62 78.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.474 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 140' ' ' HIS . . . . . 0.762 ' O ' ' N ' ' B' ' 143' ' ' LEU . 20.7 m80 -78.13 -67.53 0.72 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.557 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 141' ' ' ARG . . . . . 0.505 ' C ' ' O ' ' B' ' 140' ' ' HIS . 83.0 mtp180 -31.32 -31.52 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.47 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 142' ' ' PHE . . . . . 0.643 ' N ' ' O ' ' B' ' 140' ' ' HIS . 21.8 m-85 -93.65 -29.78 15.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.447 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 143' ' ' LEU . . . . . 0.762 ' N ' ' O ' ' B' ' 140' ' ' HIS . 42.6 tp -58.95 -32.26 69.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.523 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 144' ' ' TRP . . . . . 0.448 ' O ' ' C ' ' B' ' 145' ' ' GLN . 9.8 m95 -88.53 -54.21 4.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.524 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 145' ' ' GLN . . . . . 0.448 ' C ' ' O ' ' B' ' 144' ' ' TRP . 48.2 tt0 -35.48 -69.15 0.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.509 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 146' ' ' ARG . . . . . . . . . . . . . 9.5 tpt180 -76.81 81.87 3.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.506 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 147' ' ' ARG . . . . . . . . . . . . . 60.8 ttp180 -145.53 143.36 29.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.608 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 148' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -54.09 92.41 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.505 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 67.3 ttt180 -58.0 -44.74 87.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.583 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 150' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.438 0 CA-C-O 118.023 -0.989 . . . . 0.0 110.586 -179.975 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 ptt? . . . . . 0 N--CA 1.491 1.617 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.994 ' O ' ' N ' ' A' ' 4' ' ' SER . 28.1 p-10 -105.17 -27.2 11.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.489 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.683 ' O ' ' OG ' ' A' ' 4' ' ' SER . . . 44.6 -18.37 0.0 OUTLIER Glycine 0 CA--C 1.525 0.696 0 N-CA-C 111.1 -0.8 . . . . 0.0 111.1 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.994 ' N ' ' O ' ' A' ' 2' ' ' ASP . 40.3 m 175.61 -26.47 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.772 0.32 . . . . 0.0 110.686 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 113.19 128.3 4.84 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 1.052 ' O ' ' HB3' ' A' ' 7' ' ' GLN . 5.1 tp10 -94.92 100.99 12.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.814 0.34 . . . . 0.0 110.595 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 1.052 ' HB3' ' O ' ' A' ' 6' ' ' GLU . 2.4 tp-100 101.71 65.02 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.438 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.935 ' O ' ' O ' ' A' ' 9' ' ' ARG . 51.2 Cg_exo -49.02 160.88 0.61 Allowed 'Trans proline' 0 C--N 1.304 -1.772 0 C-N-CA 122.823 2.348 . . . . 0.0 112.077 -179.809 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.935 ' O ' ' O ' ' A' ' 8' ' ' PRO . 28.1 mtp180 -18.98 157.19 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.543 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.473 ' O ' ' C ' ' A' ' 11' ' ' GLY . . . 153.52 12.5 0.07 OUTLIER Glycine 0 CA--C 1.525 0.699 0 N-CA-C 111.091 -0.803 . . . . 0.0 111.091 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.473 ' C ' ' O ' ' A' ' 10' ' ' GLY . . . -32.19 145.95 0.01 OUTLIER Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.617 ' N ' ' HD3' ' A' ' 13' ' ' PRO . . . 59.63 47.33 91.43 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.848 -0.901 . . . . 0.0 110.848 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 1.07 ' O ' ' N ' ' A' ' 15' ' ' SER . 66.3 Cg_exo -45.11 -65.43 0.19 Allowed 'Trans proline' 0 C--N 1.305 -1.719 0 C-N-CA 122.899 2.399 . . . . 0.0 112.053 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.613 ' C ' ' O ' ' A' ' 13' ' ' PRO . 76.6 p -19.6 63.09 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.615 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' SER . . . . . 1.07 ' N ' ' O ' ' A' ' 13' ' ' PRO . 22.5 p -50.16 88.03 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.424 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.511 ' N ' ' O ' ' A' ' 14' ' ' THR . 62.5 m -94.5 -15.72 23.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.724 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -91.67 -51.74 5.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.565 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -55.62 -32.97 63.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.772 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.852 HD12 ' O ' ' A' ' 15' ' ' SER . 65.5 mt -75.11 -51.45 21.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.742 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 13.0 ttt -56.94 -36.09 69.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.809 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -68.05 -44.12 77.12 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.71 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 41.3 p -72.59 -13.67 61.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.662 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -74.51 -54.29 6.15 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.439 ' O ' ' HB2' ' A' ' 28' ' ' GLN . . . -77.45 -10.32 59.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.853 0.359 . . . . 0.0 110.646 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.53 ' O ' ' C ' ' A' ' 26' ' ' LEU . 33.6 tp -86.53 -78.43 0.29 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.608 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.53 ' C ' ' O ' ' A' ' 25' ' ' LEU . 56.4 tp -29.14 -64.55 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.614 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.452 ' O ' HG12 ' A' ' 31' ' ' ILE . 60.0 tp -52.46 -56.32 15.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.546 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.661 ' NE2' HD13 ' A' ' 47' ' ' LEU . 6.4 tt0 -48.77 -17.97 0.23 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.598 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.528 ' O ' ' N ' ' A' ' 31' ' ' ILE . . . -88.76 -72.13 1.27 Allowed Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -42.53 -18.98 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.837 0.351 . . . . 0.0 110.56 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.754 HD12 HG11 ' A' ' 121' ' ' VAL . 4.0 mm -77.01 -68.84 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.593 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.613 ' HB2' HD22 ' A' ' 45' ' ' LEU . 31.3 tt0 -79.16 29.78 0.22 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.604 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.41 ' H ' ' C ' ' A' ' 31' ' ' ILE . 68.3 t0 -112.76 -51.03 2.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.503 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 -91.24 -26.96 18.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.532 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.468 ' CB ' HD22 ' A' ' 122' ' ' LEU . . . -98.64 -13.24 20.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.576 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -92.04 20.6 41.89 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.474 ' O ' ' O ' ' A' ' 38' ' ' MET . 88.9 mtm180 -65.41 163.87 14.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.727 0.298 . . . . 0.0 110.586 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.474 ' O ' ' O ' ' A' ' 37' ' ' ARG . 93.3 mmm 54.35 161.74 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.572 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -58.68 140.33 47.53 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -161.44 90.86 0.11 Allowed Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 78.7 tt0 -66.47 154.34 40.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.758 0.314 . . . . 0.0 110.571 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 53.18 75.96 0.58 Allowed Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.558 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -74.51 139.29 25.48 Favored 'Trans proline' 0 C--N 1.305 -1.751 0 C-N-CA 122.827 2.352 . . . . 0.0 112.17 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -72.83 -19.07 61.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.534 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.845 ' O ' HD23 ' A' ' 45' ' ' LEU . 3.1 tt -92.34 73.01 5.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.538 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.406 ' O ' ' HG ' ' A' ' 47' ' ' LEU . . . -90.31 131.6 36.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.566 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.661 HD13 ' NE2' ' A' ' 28' ' ' GLN . 0.9 OUTLIER -170.66 -77.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.584 179.909 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.654 ' N ' ' HD3' ' A' ' 49' ' ' PRO . 0.6 OUTLIER 179.44 52.56 0.05 OUTLIER Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.615 179.957 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.654 ' HD3' ' N ' ' A' ' 48' ' ' ASP . 31.3 Cg_exo -54.91 -174.77 0.03 OUTLIER 'Trans proline' 0 C--N 1.306 -1.7 0 C-N-CA 122.792 2.328 . . . . 0.0 112.113 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.577 ' N ' ' HD3' ' A' ' 51' ' ' PRO . 25.1 t 63.27 53.8 1.73 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.601 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.577 ' HD3' ' N ' ' A' ' 50' ' ' VAL . 51.6 Cg_exo -49.9 159.87 1.49 Allowed 'Trans proline' 0 C--N 1.305 -1.762 0 C-N-CA 122.759 2.306 . . . . 0.0 112.015 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 76.0 mm-40 -100.33 -35.13 9.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.503 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.423 ' OD1' ' N ' ' A' ' 53' ' ' ASP . 29.5 p-10 -84.09 137.91 33.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.628 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -84.19 -1.44 55.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.58 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 58.5 m -61.22 -39.83 91.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.558 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.511 HG21 HD21 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -82.39 -33.78 28.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.608 179.923 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 31.7 ttpt -50.0 -54.74 18.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.6 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 30.2 ttpt -59.92 -47.94 83.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.583 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.627 ' O ' HD23 ' A' ' 59' ' ' LEU . 0.8 OUTLIER -61.83 -26.12 67.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.551 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.8 t -71.51 -35.27 70.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.569 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -64.08 -31.53 72.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.55 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.431 ' O ' HG22 ' A' ' 66' ' ' ILE . 92.1 m -64.45 -37.74 88.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.519 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.481 ' N ' HD12 ' A' ' 63' ' ' LEU . 9.0 mp -75.41 -24.6 57.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.591 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.0 ttpm? -84.26 -36.64 22.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.58 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.438 ' O ' ' OE2' ' A' ' 69' ' ' GLU . 95.0 mtt180 -68.61 -44.44 74.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.535 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.431 HG22 ' O ' ' A' ' 62' ' ' CYS . 20.6 tt -76.44 -35.11 25.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.547 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.425 ' O ' ' CB ' ' A' ' 71' ' ' ASP . . . -60.95 -45.45 96.56 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.425 ' OD1' ' O ' ' A' ' 68' ' ' ASP . 68.3 t0 -62.7 -34.29 76.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.753 0.311 . . . . 0.0 110.599 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.541 ' OE1' ' N ' ' A' ' 69' ' ' GLU . 0.3 OUTLIER -79.71 -58.36 3.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.578 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.26 -43.02 74.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.547 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.432 ' OD1' ' O ' ' A' ' 71' ' ' ASP . 53.2 t0 -65.13 -8.69 17.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.553 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.5 t -96.37 7.0 47.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.592 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -92.96 111.43 23.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.608 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 89.5 mtp -68.23 -11.18 58.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.528 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -80.51 -67.23 0.79 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.513 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 7.7 tp -59.93 -40.12 87.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.574 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 10.7 tm0? -61.91 -37.9 86.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.571 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 75.5 ttt180 -68.49 -44.93 73.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.536 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.485 ' SD ' HG23 ' A' ' 182' ' ' THR . 73.9 mtp -54.54 -43.87 72.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.577 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.637 ' O ' HG12 ' A' ' 83' ' ' VAL . 85.5 mt -62.46 -23.53 32.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.6 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -86.27 -18.6 31.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.555 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -86.69 -14.88 41.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.544 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.872 ' O ' HG13 ' A' ' 83' ' ' VAL . 8.1 p -89.96 82.06 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.551 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.444 ' O ' ' O ' ' A' ' 83' ' ' VAL . 43.6 p30 -39.9 162.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.557 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 97.8 m -119.49 119.07 32.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.656 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -147.6 -0.28 0.65 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.475 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.714 ' O ' HG12 ' A' ' 91' ' ' VAL . 47.4 t -176.12 90.47 0.27 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.491 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.477 ' O ' ' CB ' ' A' ' 92' ' ' PHE . 42.8 Cg_endo -71.03 -13.98 31.81 Favored 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 122.847 2.365 . . . . 0.0 112.127 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 16.1 ptt-85 -87.82 -32.32 19.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.546 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -81.5 -56.55 3.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.504 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.714 HG12 ' O ' ' A' ' 87' ' ' SER . 9.3 p -58.54 -50.43 78.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.529 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.643 ' N ' HG13 ' A' ' 91' ' ' VAL . 85.8 t80 -46.97 -51.28 17.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.478 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -68.62 -30.2 68.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.51 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 15.5 tpp180 -71.87 -57.65 4.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.555 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.621 HG23 ' N ' ' A' ' 96' ' ' ALA . 28.3 m -59.56 -47.84 89.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.528 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.621 ' N ' HG23 ' A' ' 95' ' ' VAL . . . -55.45 -27.69 49.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.462 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -81.76 -38.89 24.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.508 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.407 ' O ' ' C ' ' A' ' 99' ' ' MET . 99.8 m-20 -63.3 -38.56 91.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.578 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' MET . . . . . 0.407 ' C ' ' O ' ' A' ' 98' ' ' ASP . 63.8 mtt -38.43 -68.78 0.14 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.546 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.608 ' CD2' ' O ' ' A' ' 100' ' ' PHE . 16.3 p90 -111.38 57.46 0.63 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.57 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.2 t -74.59 -26.82 60.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.607 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.532 ' O ' ' C ' ' A' ' 103' ' ' GLY . 55.6 p-10 -155.65 -18.18 0.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.539 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.532 ' C ' ' O ' ' A' ' 102' ' ' ASP . . . -26.45 -80.61 0.01 OUTLIER Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ASN . . . . . 0.606 ' O ' ' CG ' ' A' ' 105' ' ' PHE . 25.9 t-20 174.44 34.49 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.782 0.325 . . . . 0.0 110.612 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.606 ' CG ' ' O ' ' A' ' 104' ' ' ASN . 31.2 p90 42.58 29.01 0.14 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.555 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.519 ' CG ' ' H ' ' A' ' 107' ' ' TRP . 29.0 p30 -52.14 -110.5 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.618 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' TRP . . . . . 0.547 ' NE1' HG21 ' A' ' 110' ' ' VAL . 6.7 t90 174.71 -26.21 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.608 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.601 ' O ' HG12 ' A' ' 111' ' ' VAL . . . -49.98 -42.13 38.34 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.959 -0.857 . . . . 0.0 110.959 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 5.7 ppt_? -48.13 -26.15 1.76 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.787 0.327 . . . . 0.0 110.616 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.547 HG21 ' NE1' ' A' ' 107' ' ' TRP . 33.1 t -52.44 -57.98 3.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.491 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.601 HG12 ' O ' ' A' ' 108' ' ' GLY . 4.9 p -45.32 -46.66 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.444 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.581 ' N ' HG13 ' A' ' 111' ' ' VAL . . . -58.06 -35.36 71.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.506 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.641 ' O ' HD23 ' A' ' 113' ' ' LEU . 1.8 tt -56.59 -46.9 80.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.63 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.451 ' CZ ' ' CG1' ' A' ' 110' ' ' VAL . 9.8 m-85 -56.98 -44.23 82.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.523 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 92.6 t80 -67.86 -43.82 78.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.591 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.458 ' CE2' HG21 ' A' ' 95' ' ' VAL . 93.2 t80 -58.96 -41.9 88.58 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.514 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -70.78 -32.72 69.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.544 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 4.9 t -48.44 -44.68 35.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.565 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.82 ' O ' ' CB ' ' A' ' 123' ' ' LYS . 55.0 mmtt -59.36 -43.61 92.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.659 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 53.1 mt -68.13 -31.5 71.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.605 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.759 HG13 HG23 ' A' ' 133' ' ' ILE . 75.5 t -76.97 -53.28 15.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.542 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.468 HD22 ' CB ' ' A' ' 35' ' ' ALA . 68.6 mt -73.18 -40.57 64.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.564 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.82 ' CB ' ' O ' ' A' ' 119' ' ' LYS . 88.7 tttt -58.41 -40.91 83.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.53 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.523 ' O ' ' OG1' ' A' ' 127' ' ' THR . . . -76.09 -21.26 56.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.562 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 6.9 tp -63.62 -31.26 72.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.607 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' CYS . . . . . 0.455 ' SG ' ' N ' ' A' ' 127' ' ' THR . 13.8 p -84.84 -34.54 22.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.601 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.784 ' O ' ' HB2' ' A' ' 128' ' ' LYS . 26.3 p -53.96 -18.32 3.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.565 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.784 ' HB2' ' O ' ' A' ' 127' ' ' THR . 26.9 mmtp 88.07 42.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.573 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.47 HG22 ' OG1' ' A' ' 127' ' ' THR . 1.7 m -146.96 92.99 4.85 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.626 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -74.91 -13.33 21.66 Favored 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 122.845 2.364 . . . . 0.0 112.074 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' GLU . . . . . 0.776 ' O ' HG23 ' A' ' 135' ' ' THR . 78.8 tt0 -66.22 -38.83 88.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.564 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.52 ' HA ' ' OG1' ' A' ' 135' ' ' THR . 2.4 tp -63.06 -31.87 73.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.529 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.759 HG23 HG13 ' A' ' 121' ' ' VAL . 8.0 mm -59.28 -49.09 84.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.482 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 88.7 mtm180 -69.55 -34.66 74.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.485 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 135' ' ' THR . . . . . 0.776 HG23 ' O ' ' A' ' 131' ' ' GLU . 61.7 p -67.31 -32.04 72.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.486 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.431 HG21 ' CG2' ' A' ' 121' ' ' VAL . 47.2 mt -69.72 -58.6 5.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.561 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 55.2 mtt -46.71 -25.44 0.73 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.442 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -68.71 -40.58 85.4 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 139' ' ' TRP . . . . . 0.566 ' CD1' ' N ' ' A' ' 139' ' ' TRP . 7.5 m0 -66.23 -24.44 66.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.778 0.323 . . . . 0.0 110.554 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 140' ' ' THR . . . . . 0.475 ' OG1' ' N ' ' A' ' 141' ' ' LEU . 21.1 p -75.58 -65.89 0.84 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.535 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.475 ' N ' ' OG1' ' A' ' 140' ' ' THR . 52.8 mt -51.86 -33.44 36.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.578 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -65.83 -51.05 62.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.533 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 143' ' ' PHE . . . . . 0.452 ' O ' ' HB2' ' A' ' 147' ' ' ARG . 6.4 t80 -66.83 -38.83 87.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.565 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.582 HD12 ' HB2' ' A' ' 148' ' ' LEU . 2.0 tp -71.15 -35.55 71.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.476 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 57.9 ttp180 -83.01 -10.62 58.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.574 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -112.04 -4.62 14.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.582 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 147' ' ' ARG . . . . . 1.152 ' O ' ' N ' ' A' ' 149' ' ' LEU . 19.5 mtp180 -142.23 -110.88 0.13 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.546 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 148' ' ' LEU . . . . . 0.834 ' H ' HD22 ' A' ' 148' ' ' LEU . 1.0 OUTLIER -15.29 -27.83 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.595 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 149' ' ' LEU . . . . . 1.152 ' N ' ' O ' ' A' ' 147' ' ' ARG . 59.3 tp -49.09 -56.31 9.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.54 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -63.87 -50.65 59.59 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 151' ' ' TRP . . . . . . . . . . . . . 99.4 m95 -66.26 -55.81 14.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.791 0.329 . . . . 0.0 110.541 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 152' ' ' ILE . . . . . 0.697 ' N ' ' O ' ' A' ' 148' ' ' LEU . 10.3 tt -51.31 -34.41 14.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.561 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 153' ' ' GLN . . . . . 0.565 ' NE2' HD11 ' A' ' 149' ' ' LEU . 50.9 mt-30 -67.41 -31.42 71.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.528 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -88.83 -4.62 58.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.639 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -97.49 0.89 48.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.54 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 83.6 24.76 49.16 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 89.7 -160.42 28.87 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.874 -0.891 . . . . 0.0 110.874 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 158' ' ' TRP . . . . . 0.437 ' CD1' HD11 ' A' ' 152' ' ' ILE . 37.7 m95 -73.86 -5.66 42.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.812 0.339 . . . . 0.0 110.57 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -60.83 -42.46 97.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.539 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -54.35 -32.37 51.76 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 161' ' ' LEU . . . . . 0.579 ' O ' HD23 ' A' ' 161' ' ' LEU . 2.0 tt -62.83 -54.15 43.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.708 0.29 . . . . 0.0 110.513 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 48.6 tp -66.85 -31.23 71.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.582 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 20.9 t -66.54 -26.83 67.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.554 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 94.5 t80 -75.79 -42.97 48.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.567 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -71.82 47.88 0.15 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.537 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -130.5 39.08 1.85 Allowed Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 167' ' ' THR . . . . . 1.177 ' OG1' ' HD2' ' A' ' 168' ' ' PRO . 0.6 OUTLIER -108.6 -176.45 0.4 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 120.978 0.418 . . . . 0.0 110.594 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 168' ' ' PRO . . . . . 1.177 ' HD2' ' OG1' ' A' ' 167' ' ' THR . 61.3 Cg_endo -77.67 -147.76 0.03 OUTLIER 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 122.896 2.398 . . . . 0.0 112.212 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 169' ' ' THR . . . . . 0.606 ' C ' ' O ' ' A' ' 168' ' ' PRO . 20.8 p -20.28 98.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.611 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 170' ' ' TRP . . . . . 0.683 ' O ' HG22 ' A' ' 173' ' ' VAL . 30.8 p90 -63.19 -18.48 63.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.58 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 171' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.37 -13.83 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.556 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 172' ' ' THR . . . . . 0.512 ' O ' HG22 ' A' ' 175' ' ' ILE . 5.5 m -87.34 -29.58 21.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.493 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 173' ' ' VAL . . . . . 0.683 HG22 ' O ' ' A' ' 170' ' ' TRP . 2.0 m -71.94 -45.68 63.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.604 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 174' ' ' THR . . . . . 0.566 ' N ' ' CG2' ' A' ' 173' ' ' VAL . 24.9 m -64.51 -25.04 67.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.526 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 175' ' ' ILE . . . . . 0.512 HG22 ' O ' ' A' ' 172' ' ' THR . 1.6 tt -85.68 -7.62 10.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.57 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 176' ' ' PHE . . . . . 0.482 ' O ' HG12 ' A' ' 180' ' ' VAL . 64.1 t80 -94.48 -60.17 1.78 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.617 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 3.0 m -62.02 -16.71 16.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.586 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 178' ' ' ALA . . . . . 0.621 ' O ' ' OG1' ' A' ' 182' ' ' THR . . . -95.51 -45.92 6.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.608 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -62.28 -26.18 67.52 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 180' ' ' VAL . . . . . 0.699 HG13 ' N ' ' A' ' 181' ' ' LEU . 13.7 p -86.26 -51.73 12.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.793 0.33 . . . . 0.0 110.553 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 181' ' ' LEU . . . . . 0.699 ' N ' HG13 ' A' ' 180' ' ' VAL . 41.3 tp -69.27 -48.01 62.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.553 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 182' ' ' THR . . . . . 0.621 ' OG1' ' O ' ' A' ' 178' ' ' ALA . 26.1 m -50.53 -51.26 49.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.597 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -47.47 -45.63 26.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.547 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 184' ' ' SER . . . . . . . . . . . . . 27.5 t -54.52 -37.77 65.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.616 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 61.6 mt -77.7 -21.68 51.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.569 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 21.0 m -73.27 -44.83 58.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.524 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 187' ' ' ILE . . . . . 0.637 HG23 ' N ' ' A' ' 188' ' ' TRP . 12.5 tt -73.68 -51.59 24.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.614 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 188' ' ' TRP . . . . . 0.637 ' N ' HG23 ' A' ' 187' ' ' ILE . 0.2 OUTLIER -30.75 -56.94 0.22 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.593 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 8.0 mmtt -175.75 128.29 0.24 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.581 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 190' ' ' LYS . . . . . . . . . . . . . 14.8 ptmt -109.91 89.53 3.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.564 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 191' ' ' MET . . . . . . . . . . . . . 83.7 mtp -128.62 136.57 50.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.609 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.711 0 CA-C-O 118.04 -1.422 . . . . 0.0 110.938 -179.934 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 130' ' ' CYS . . . . . . . . . . . . . 26.5 p . . . . . 0 N--CA 1.49 1.575 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 131' ' ' GLU . . . . . . . . . . . . . 66.9 mm-40 -64.6 -55.81 17.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.502 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -52.75 167.4 0.15 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.576 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 61.2 tp -57.39 -39.82 76.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.601 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 134' ' ' LYS . . . . . . . . . . . . . 50.3 tttm -177.22 -76.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.614 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 135' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -143.34 149.91 38.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.659 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 136' ' ' ALA . . . . . 0.547 ' C ' HD12 ' B' ' 137' ' ' LEU . . . -144.82 135.12 24.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.414 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 137' ' ' LEU . . . . . 0.72 ' H ' ' NH2' ' B' ' 141' ' ' ARG . 7.0 mp -97.55 134.06 41.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.615 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 138' ' ' ARG . . . . . 0.505 ' O ' ' HB2' ' B' ' 142' ' ' PHE . 34.2 mmt180 -89.81 -9.98 47.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.472 179.732 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 139' ' ' ARG . . . . . . . . . . . . . 75.3 ttt180 -61.79 -44.7 96.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.515 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 140' ' ' HIS . . . . . 0.696 ' O ' ' N ' ' B' ' 143' ' ' LEU . 31.3 t-80 -79.64 -65.12 1.04 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.507 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 141' ' ' ARG . . . . . 0.72 ' NH2' ' H ' ' B' ' 137' ' ' LEU . 1.2 mpp_? -34.8 -31.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.384 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 142' ' ' PHE . . . . . 0.549 ' N ' ' O ' ' B' ' 140' ' ' HIS . 12.0 m-85 -92.96 -29.39 15.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.441 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 143' ' ' LEU . . . . . 0.696 ' N ' ' O ' ' B' ' 140' ' ' HIS . 33.3 tp -58.42 -34.55 70.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.649 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 144' ' ' TRP . . . . . 0.475 ' O ' ' C ' ' B' ' 145' ' ' GLN . 59.8 t-105 -85.48 -56.0 3.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.588 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 145' ' ' GLN . . . . . 0.475 ' C ' ' O ' ' B' ' 144' ' ' TRP . 5.1 tm0? -33.62 -71.54 0.06 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.636 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 146' ' ' ARG . . . . . . . . . . . . . 66.4 ttt180 -94.15 117.27 29.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.651 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 147' ' ' ARG . . . . . . . . . . . . . 43.6 ttm180 -154.97 108.82 2.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.576 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 148' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -72.35 -38.81 68.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.652 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 85.3 mtm-85 -109.75 119.03 38.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.661 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 150' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.476 0 CA-C-O 118.045 -0.978 . . . . 0.0 110.489 -179.939 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.416 ' HG3' ' N ' ' A' ' 2' ' ' ASP . 10.6 ptt? . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.696 ' CG ' ' H ' ' A' ' 3' ' ' GLY . 20.1 p-10 -52.5 -66.75 0.33 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.537 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.696 ' H ' ' CG ' ' A' ' 2' ' ' ASP . . . 94.71 -49.42 2.04 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.5 m -165.0 -26.1 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.766 0.317 . . . . 0.0 110.607 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -170.15 -121.56 0.59 Allowed Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.839 ' O ' ' HB3' ' A' ' 7' ' ' GLN . 4.7 tp10 -136.73 118.11 14.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.814 0.34 . . . . 0.0 110.589 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.839 ' HB3' ' O ' ' A' ' 6' ' ' GLU . 6.7 tp-100 90.11 30.49 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.59 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 1.239 ' O ' ' O ' ' A' ' 9' ' ' ARG . 55.8 Cg_endo -73.38 66.13 4.49 Favored 'Trans proline' 0 C--N 1.306 -1.705 0 C-N-CA 122.799 2.333 . . . . 0.0 112.066 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 1.239 ' O ' ' O ' ' A' ' 8' ' ' PRO . 4.5 mtp180 4.84 152.24 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.788 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -105.94 91.49 0.74 Allowed Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.677 -0.969 . . . . 0.0 110.677 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -69.36 -16.55 71.49 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -122.57 148.91 16.96 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.671 ' O ' ' C ' ' A' ' 14' ' ' THR . 54.4 Cg_exo -46.85 -100.1 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.723 0 C-N-CA 122.743 2.295 . . . . 0.0 112.095 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.671 ' C ' ' O ' ' A' ' 13' ' ' PRO . 70.3 p 10.6 98.76 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.586 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.86 ' O ' HD12 ' A' ' 19' ' ' ILE . 2.9 p -142.58 -149.8 0.29 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.61 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.47 ' H ' ' HB2' ' A' ' 15' ' ' SER . 49.3 m -99.88 -13.25 19.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.597 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -84.83 -47.94 9.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.47 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.516 ' CD ' ' O ' ' A' ' 18' ' ' GLN . 20.5 tm0? -66.46 -23.1 66.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.582 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.86 HD12 ' O ' ' A' ' 15' ' ' SER . 93.8 mt -82.02 -55.26 8.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.51 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.42 ' SD ' ' C ' ' A' ' 20' ' ' MET . 10.2 tmm? -52.82 -37.15 59.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.527 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 29.0 ttmt -66.77 -47.06 73.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.453 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.501 HG22 ' O ' ' A' ' 22' ' ' THR . 92.8 m -71.35 -7.99 50.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.566 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -79.54 -54.23 4.06 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.44 -8.96 59.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.804 0.335 . . . . 0.0 110.522 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.548 ' O ' ' C ' ' A' ' 26' ' ' LEU . 23.0 mt -86.88 -80.49 0.24 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.613 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.548 ' C ' ' O ' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -27.07 -65.71 0.07 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.642 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.421 ' C ' ' N ' ' A' ' 29' ' ' GLY . 6.2 tp -51.23 -57.8 7.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.598 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.421 ' HG3' HD23 ' A' ' 47' ' ' LEU . 1.3 tm0? -47.48 -18.0 0.11 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.539 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.541 ' O ' ' N ' ' A' ' 31' ' ' ILE . . . -88.7 -72.65 1.28 Allowed Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 42.0 t80 -42.15 -18.91 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.839 0.352 . . . . 0.0 110.623 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.541 ' N ' ' O ' ' A' ' 29' ' ' GLY . 73.8 mt -76.96 -69.2 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.575 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -78.99 30.14 0.21 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.589 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.413 ' H ' ' C ' ' A' ' 31' ' ' ILE . 66.4 t0 -113.06 -50.78 2.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.589 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 15.2 ptm180 -91.57 -26.74 18.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.599 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.47 ' CB ' HD22 ' A' ' 122' ' ' LEU . . . -99.01 -13.63 19.81 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.596 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.506 ' O ' ' N ' ' A' ' 38' ' ' MET . . . -62.53 -120.31 0.01 OUTLIER Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.986 -0.845 . . . . 0.0 110.986 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 8.0 tpt180 62.95 -71.76 0.05 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.819 0.342 . . . . 0.0 110.601 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.506 ' N ' ' O ' ' A' ' 36' ' ' GLY . 2.8 ptp -61.66 -44.66 96.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.605 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -69.79 168.43 46.76 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.522 ' C ' ' HD3' ' A' ' 43' ' ' PRO . . . 157.69 -59.37 0.34 Allowed Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.909 -0.877 . . . . 0.0 110.909 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 54.8 mp0 -70.31 -39.36 74.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.806 0.336 . . . . 0.0 110.564 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.547 ' N ' ' HD3' ' A' ' 43' ' ' PRO . . . -143.05 54.8 3.46 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.631 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.547 ' HD3' ' N ' ' A' ' 42' ' ' ALA . 51.0 Cg_exo -49.12 155.0 3.14 Favored 'Trans proline' 0 C--N 1.305 -1.749 0 C-N-CA 122.835 2.356 . . . . 0.0 112.115 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 75.1 mt-10 -92.48 -11.86 33.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.565 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.49 HD22 ' HA ' ' A' ' 45' ' ' LEU . 0.3 OUTLIER -98.85 63.54 1.39 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.592 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.424 ' O ' ' HB2' ' A' ' 47' ' ' LEU . . . -70.94 141.09 51.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.529 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.445 ' O ' ' CG ' ' A' ' 48' ' ' ASP . 56.2 tp 176.88 -83.91 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.544 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.476 ' HB3' ' HD2' ' A' ' 49' ' ' PRO . 43.9 m-20 -163.98 161.96 16.52 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.614 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.476 ' HD2' ' HB3' ' A' ' 48' ' ' ASP . 47.5 Cg_endo -72.44 -81.47 0.01 OUTLIER 'Trans proline' 0 C--N 1.304 -1.766 0 C-N-CA 122.83 2.353 . . . . 0.0 112.129 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.808 ' O ' HG13 ' A' ' 50' ' ' VAL . 13.0 p 177.03 74.33 0.1 OUTLIER Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.627 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_endo -72.86 -1.19 10.06 Favored 'Trans proline' 0 C--N 1.305 -1.757 0 C-N-CA 122.823 2.349 . . . . 0.0 112.022 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.809 ' O ' ' OD1' ' A' ' 53' ' ' ASP . 30.5 tt0 -76.36 -121.78 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.564 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.809 ' OD1' ' O ' ' A' ' 52' ' ' GLN . 87.8 m-20 -151.2 -161.6 1.37 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.591 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -80.18 -1.03 38.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.542 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.604 ' O ' HD13 ' A' ' 59' ' ' LEU . 11.4 t -60.12 -39.84 87.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.592 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.641 ' CG2' ' NE2' ' A' ' 52' ' ' GLN . 6.8 p -81.97 -34.0 29.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.572 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 66.5 mmtt -50.17 -54.87 17.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.586 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -59.84 -47.77 84.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.629 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.604 HD13 ' O ' ' A' ' 55' ' ' SER . 3.8 mp -61.94 -26.28 68.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.491 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.4 t -71.37 -35.38 71.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.566 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -63.84 -31.72 73.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.545 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 95.3 m -64.35 -37.74 88.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.572 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.435 ' N ' HD12 ' A' ' 63' ' ' LEU . 11.2 mp -75.3 -24.76 57.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.53 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 25.1 ttpp -84.22 -36.68 22.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.59 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -68.46 -44.5 74.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.529 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 18.4 tt -76.43 -35.13 26.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.555 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.425 ' O ' ' CB ' ' A' ' 71' ' ' ASP . . . -61.06 -45.42 96.62 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.421 ' OD1' ' O ' ' A' ' 68' ' ' ASP . 68.0 t0 -62.78 -34.21 76.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.748 0.309 . . . . 0.0 110.592 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 41.8 tp10 -79.71 -58.49 3.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.597 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 2.1 mt -55.09 -43.13 73.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.559 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.436 ' OD1' ' O ' ' A' ' 71' ' ' ASP . 55.4 t0 -65.05 -8.78 17.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.593 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.9 t -96.33 7.07 47.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.572 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -92.9 111.48 23.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.597 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 6.9 ptt? -68.35 -11.24 59.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.543 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -80.32 -67.32 0.78 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.6 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 51.5 tp -59.82 -40.24 87.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.545 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 3.4 tm0? -61.82 -37.94 86.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.511 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 77.3 ttt180 -68.53 -44.89 73.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.5 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.481 ' SD ' HG23 ' A' ' 182' ' ' THR . 73.5 mtp -54.59 -43.84 72.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.566 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.641 ' O ' HG12 ' A' ' 83' ' ' VAL . 84.8 mt -62.44 -23.68 32.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.566 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -86.03 -18.71 31.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.577 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -86.55 -15.02 41.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.592 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.874 ' O ' HG13 ' A' ' 83' ' ' VAL . 8.0 p -89.86 82.55 2.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.603 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.41 ' O ' ' O ' ' A' ' 83' ' ' VAL . 54.8 p-10 -40.84 162.06 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.536 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 87.8 m -119.39 120.53 37.15 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.62 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 29.8 t0 -149.0 -0.49 0.51 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.495 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.681 ' O ' HG12 ' A' ' 91' ' ' VAL . 44.9 t -175.41 87.27 0.3 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.487 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.503 ' O ' ' CB ' ' A' ' 92' ' ' PHE . 34.8 Cg_endo -67.86 -15.8 44.59 Favored 'Trans proline' 0 C--N 1.304 -1.765 0 C-N-CA 122.765 2.31 . . . . 0.0 112.106 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 15.3 ptt-85 -85.84 -34.51 21.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.501 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -78.85 -57.74 3.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.595 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.681 HG12 ' O ' ' A' ' 87' ' ' SER . 9.2 p -57.32 -51.51 68.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.551 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.661 ' N ' HG13 ' A' ' 91' ' ' VAL . 74.4 t80 -45.84 -52.4 11.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.494 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 91.3 t80 -67.92 -30.0 69.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.581 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 16.2 tpp180 -71.8 -57.43 4.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.545 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.617 HG23 ' N ' ' A' ' 96' ' ' ALA . 26.6 m -59.93 -47.81 90.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.572 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.617 ' N ' HG23 ' A' ' 95' ' ' VAL . . . -55.2 -27.77 48.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.531 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -81.71 -38.86 25.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.544 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.407 ' O ' ' C ' ' A' ' 99' ' ' MET . 99.6 m-20 -63.3 -38.67 92.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.495 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' MET . . . . . 0.407 ' C ' ' O ' ' A' ' 98' ' ' ASP . 65.1 mtt -38.39 -68.75 0.14 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.639 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.663 ' CG ' ' NH2' ' A' ' 109' ' ' ARG . 9.2 p90 -111.35 57.49 0.63 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.614 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.2 t -74.61 -26.88 60.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.596 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.534 ' O ' ' C ' ' A' ' 103' ' ' GLY . 54.1 p-10 -155.58 -18.3 0.11 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.561 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.534 ' C ' ' O ' ' A' ' 102' ' ' ASP . . . -26.43 -80.71 0.01 OUTLIER Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ASN . . . . . 0.608 ' O ' ' CG ' ' A' ' 105' ' ' PHE . 9.2 m-20 174.53 34.42 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.749 0.309 . . . . 0.0 110.572 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.608 ' CG ' ' O ' ' A' ' 104' ' ' ASN . 29.5 p90 42.67 29.1 0.15 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.571 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.538 ' OD1' ' NE ' ' A' ' 109' ' ' ARG . 5.1 p-10 -52.13 -110.47 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.582 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' TRP . . . . . 0.551 ' NE1' HG21 ' A' ' 110' ' ' VAL . 6.7 t90 174.54 -26.12 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.561 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.585 ' O ' HG12 ' A' ' 111' ' ' VAL . . . -50.06 -42.22 39.22 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.746 ' CD ' ' H ' ' A' ' 109' ' ' ARG . 0.0 OUTLIER -47.98 -26.24 1.69 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.831 0.348 . . . . 0.0 110.624 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.551 HG21 ' NE1' ' A' ' 107' ' ' TRP . 34.6 t -52.4 -57.96 3.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.52 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.585 HG12 ' O ' ' A' ' 108' ' ' GLY . 4.6 p -45.28 -46.82 3.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.529 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.58 ' N ' HG13 ' A' ' 111' ' ' VAL . . . -58.11 -34.84 70.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.509 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.68 ' O ' HD23 ' A' ' 113' ' ' LEU . 2.2 tt -56.99 -46.88 81.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.583 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -57.26 -43.96 83.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.557 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 92.3 t80 -67.94 -43.58 78.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.536 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.447 ' CE2' HG21 ' A' ' 95' ' ' VAL . 91.9 t80 -59.16 -41.78 89.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.529 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.509 ' O ' HG23 ' A' ' 121' ' ' VAL . . . -71.0 -32.51 69.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.499 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 5.7 t -48.68 -44.28 37.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.553 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.82 ' O ' ' CB ' ' A' ' 123' ' ' LYS . 55.9 mmtt -59.8 -43.73 94.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.542 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 53.8 mt -68.02 -31.34 70.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.521 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.706 HG13 HG23 ' A' ' 133' ' ' ILE . 53.8 t -77.11 -53.5 14.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.567 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.47 HD22 ' CB ' ' A' ' 35' ' ' ALA . 70.0 mt -72.87 -41.0 65.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.518 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.82 ' CB ' ' O ' ' A' ' 119' ' ' LYS . 62.6 tttm -58.04 -41.13 82.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.53 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.517 ' O ' ' OG1' ' A' ' 127' ' ' THR . . . -75.67 -21.83 57.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.551 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 6.2 tt -63.23 -32.18 73.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.554 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 85.0 m -83.2 -35.71 25.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.628 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.74 ' O ' ' HB2' ' A' ' 128' ' ' LYS . 36.7 p -53.66 -19.01 3.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.533 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.74 ' HB2' ' O ' ' A' ' 127' ' ' THR . 64.2 mttm 87.15 45.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.532 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.503 ' CG2' ' OG1' ' A' ' 127' ' ' THR . 0.2 OUTLIER -148.7 88.19 5.32 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.551 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 130' ' ' PRO . . . . . 0.406 ' HA ' HG12 ' A' ' 133' ' ' ILE . 39.7 Cg_endo -70.36 -13.14 32.85 Favored 'Trans proline' 0 C--N 1.307 -1.653 0 C-N-CA 122.769 2.312 . . . . 0.0 112.075 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -65.07 -41.28 95.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.536 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 8.4 mp -61.36 -34.5 75.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.41 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.706 HG23 HG13 ' A' ' 121' ' ' VAL . 21.4 mm -56.14 -50.53 70.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.466 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 41.5 mtm105 -68.95 -34.9 76.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.509 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 16.8 m -67.25 -31.84 72.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.496 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.425 HG21 ' CG2' ' A' ' 121' ' ' VAL . 44.4 mt -69.78 -59.02 3.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.485 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 82.7 mtp -46.29 -25.43 0.63 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.537 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -68.81 -40.42 85.02 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -66.4 -24.37 66.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.871 0.367 . . . . 0.0 110.562 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 140' ' ' THR . . . . . 0.47 ' OG1' ' N ' ' A' ' 141' ' ' LEU . 22.4 p -75.57 -65.85 0.85 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.529 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.47 ' N ' ' OG1' ' A' ' 140' ' ' THR . 54.2 mt -51.73 -33.69 35.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.525 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -65.73 -51.01 62.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.58 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 143' ' ' PHE . . . . . 0.435 ' O ' ' HB2' ' A' ' 147' ' ' ARG . 4.7 t80 -66.89 -38.82 86.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.551 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.572 HD12 ' HB2' ' A' ' 148' ' ' LEU . 1.8 tp -71.07 -35.52 71.91 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.568 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 58.8 ttp180 -82.97 -10.72 58.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.597 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -111.97 -4.62 14.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.536 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 147' ' ' ARG . . . . . 1.155 ' O ' ' N ' ' A' ' 149' ' ' LEU . 17.9 mtp180 -142.21 -110.84 0.13 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.604 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 148' ' ' LEU . . . . . 0.802 ' H ' HD22 ' A' ' 148' ' ' LEU . 1.0 OUTLIER -15.42 -27.7 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.558 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 149' ' ' LEU . . . . . 1.155 ' N ' ' O ' ' A' ' 147' ' ' ARG . 46.6 tp -49.06 -56.36 9.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.542 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -63.97 -50.57 59.88 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 151' ' ' TRP . . . . . . . . . . . . . 99.5 m95 -66.23 -55.84 14.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.804 0.335 . . . . 0.0 110.595 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 152' ' ' ILE . . . . . 0.698 ' N ' ' O ' ' A' ' 148' ' ' LEU . 10.1 tt -51.33 -34.32 14.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.564 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -67.44 -31.39 71.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.535 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -88.91 -4.6 58.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.543 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -97.41 0.78 48.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.591 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 83.66 24.65 49.29 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 89.81 -160.42 28.73 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 158' ' ' TRP . . . . . 0.435 ' CD1' HD11 ' A' ' 152' ' ' ILE . 52.7 m95 -73.92 -5.57 41.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.768 0.318 . . . . 0.0 110.569 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 159' ' ' ASP . . . . . 0.403 ' C ' ' OD1' ' A' ' 159' ' ' ASP . 62.4 t0 -60.9 -42.48 98.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.579 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -54.43 -32.13 52.04 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 161' ' ' LEU . . . . . 0.592 ' O ' HD23 ' A' ' 161' ' ' LEU . 2.0 tt -62.92 -54.07 44.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.816 0.341 . . . . 0.0 110.514 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 43.8 tp -67.1 -31.05 71.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.539 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 21.3 t -66.77 -26.25 66.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.633 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 90.3 t80 -76.64 -42.67 41.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.556 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -71.66 48.13 0.15 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.539 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -131.11 39.17 1.82 Allowed Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 167' ' ' THR . . . . . 1.134 ' OG1' ' HD2' ' A' ' 168' ' ' PRO . 0.6 OUTLIER -108.73 -179.99 0.77 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 120.935 0.398 . . . . 0.0 110.523 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 168' ' ' PRO . . . . . 1.134 ' HD2' ' OG1' ' A' ' 167' ' ' THR . 50.9 Cg_endo -73.17 -146.26 0.02 OUTLIER 'Trans proline' 0 C--N 1.306 -1.677 0 C-N-CA 122.743 2.295 . . . . 0.0 112.068 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 169' ' ' THR . . . . . 0.595 ' C ' ' O ' ' A' ' 168' ' ' PRO . 4.1 p -22.57 101.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.522 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 170' ' ' TRP . . . . . 0.692 ' O ' HG22 ' A' ' 173' ' ' VAL . 28.3 p90 -65.08 -18.39 65.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.627 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 171' ' ' GLN . . . . . 0.46 HE21 ' HB2' ' A' ' 171' ' ' GLN . 0.0 OUTLIER -47.43 -14.16 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.542 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 172' ' ' THR . . . . . 0.528 ' O ' HG22 ' A' ' 175' ' ' ILE . 97.1 m -86.89 -29.49 22.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.53 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 173' ' ' VAL . . . . . 0.692 HG22 ' O ' ' A' ' 170' ' ' TRP . 2.0 m -72.14 -45.61 61.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.59 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 174' ' ' THR . . . . . 0.564 ' N ' ' CG2' ' A' ' 173' ' ' VAL . 24.9 m -64.55 -24.96 67.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.584 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 175' ' ' ILE . . . . . 0.528 HG22 ' O ' ' A' ' 172' ' ' THR . 1.8 tt -85.73 -7.55 10.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.574 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 176' ' ' PHE . . . . . 0.482 ' O ' HG12 ' A' ' 180' ' ' VAL . 62.3 t80 -94.59 -60.12 1.78 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.568 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 3.1 m -62.11 -16.62 16.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.623 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 178' ' ' ALA . . . . . 0.621 ' O ' ' OG1' ' A' ' 182' ' ' THR . . . -95.58 -46.02 6.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.487 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -62.24 -26.23 67.51 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 180' ' ' VAL . . . . . 0.7 HG13 ' N ' ' A' ' 181' ' ' LEU . 13.6 p -86.17 -51.83 12.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.826 0.346 . . . . 0.0 110.554 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 181' ' ' LEU . . . . . 0.7 ' N ' HG13 ' A' ' 180' ' ' VAL . 45.9 tp -69.24 -48.06 62.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.557 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 182' ' ' THR . . . . . 0.621 ' OG1' ' O ' ' A' ' 178' ' ' ALA . 25.7 m -50.39 -51.46 46.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.546 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -47.27 -45.77 24.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.581 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 184' ' ' SER . . . . . . . . . . . . . 29.4 t -54.37 -37.94 65.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.556 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 66.1 mt -77.63 -21.73 51.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.564 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 21.9 m -73.28 -44.81 58.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.538 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 187' ' ' ILE . . . . . 0.636 HG23 ' N ' ' A' ' 188' ' ' TRP . 12.3 tt -73.63 -51.63 24.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.585 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 188' ' ' TRP . . . . . 0.636 ' N ' HG23 ' A' ' 187' ' ' ILE . 0.2 OUTLIER -30.77 -56.93 0.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.57 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 7.6 mmtt -175.71 128.28 0.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.572 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 190' ' ' LYS . . . . . . . . . . . . . 16.4 pttm -109.9 89.52 3.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.555 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 191' ' ' MET . . . . . . . . . . . . . 93.0 mtp -128.6 136.62 50.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.576 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.717 0 CA-C-O 118.023 -1.432 . . . . 0.0 110.866 -179.965 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 130' ' ' CYS . . . . . . . . . . . . . 8.8 t . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 131' ' ' GLU . . . . . . . . . . . . . 73.5 tt0 -71.73 -46.87 57.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.601 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -54.56 144.38 21.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.573 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 86.0 mt -70.77 135.44 48.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.592 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 134' ' ' LYS . . . . . . . . . . . . . 52.1 tttp -143.3 143.85 31.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.569 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 135' ' ' LYS . . . . . 0.486 ' O ' ' HB3' ' B' ' 136' ' ' ALA . 0.2 OUTLIER 58.94 159.46 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.62 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 136' ' ' ALA . . . . . 0.486 ' HB3' ' O ' ' B' ' 135' ' ' LYS . . . 68.14 5.06 4.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.547 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 137' ' ' LEU . . . . . 0.432 HD23 ' HA ' ' B' ' 137' ' ' LEU . 96.1 mt -65.21 -39.87 93.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.493 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 138' ' ' ARG . . . . . 0.525 ' O ' ' HB2' ' B' ' 142' ' ' PHE . 10.6 ptp85 -153.1 -5.85 0.19 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.522 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 139' ' ' ARG . . . . . . . . . . . . . 73.5 mmt-85 -58.99 -44.52 91.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.521 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 140' ' ' HIS . . . . . 0.785 ' O ' ' N ' ' B' ' 143' ' ' LEU . 4.1 m-70 -81.22 -67.64 0.76 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.497 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 141' ' ' ARG . . . . . 0.503 ' C ' ' O ' ' B' ' 140' ' ' HIS . 0.0 OUTLIER -31.13 -30.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.487 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 142' ' ' PHE . . . . . 0.652 ' N ' ' O ' ' B' ' 140' ' ' HIS . 6.2 m-85 -94.01 -28.19 15.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.469 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 143' ' ' LEU . . . . . 0.785 ' N ' ' O ' ' B' ' 140' ' ' HIS . 41.1 tp -60.44 -32.66 71.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.623 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 144' ' ' TRP . . . . . 0.456 ' O ' ' O ' ' B' ' 147' ' ' ARG . 60.7 t-105 -88.62 -53.0 4.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.553 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 145' ' ' GLN . . . . . 0.433 ' C ' ' O ' ' B' ' 144' ' ' TRP . 63.4 tt0 -36.33 -68.7 0.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.556 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 146' ' ' ARG . . . . . . . . . . . . . 43.0 ttm180 -55.41 -43.34 75.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.571 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 147' ' ' ARG . . . . . 0.456 ' O ' ' O ' ' B' ' 144' ' ' TRP . 81.7 mtp180 -99.64 94.35 6.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.507 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 148' ' ' GLN . . . . . . . . . . . . . 12.8 tt0 -160.42 100.57 1.34 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.585 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 83.3 mtt85 -66.01 -38.54 88.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.555 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 150' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.514 0 CA-C-O 117.998 -1.001 . . . . 0.0 110.617 179.957 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.3 ptt? . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 1.161 ' O ' ' N ' ' A' ' 4' ' ' SER . 45.6 p30 -49.75 -50.89 42.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.567 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.932 ' N ' ' OD1' ' A' ' 2' ' ' ASP . . . 10.59 -52.73 0.0 OUTLIER Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' SER . . . . . 1.161 ' N ' ' O ' ' A' ' 2' ' ' ASP . 49.5 m -64.14 -92.14 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.801 0.334 . . . . 0.0 110.57 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -168.31 -145.7 4.67 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.81 ' O ' ' CB ' ' A' ' 7' ' ' GLN . 1.0 OUTLIER -151.52 87.55 1.38 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.763 0.316 . . . . 0.0 110.536 -179.955 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.905 ' H ' ' HD3' ' A' ' 8' ' ' PRO . 8.7 tp-100 122.33 42.6 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.592 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.905 ' HD3' ' H ' ' A' ' 7' ' ' GLN . 55.8 Cg_endo -73.96 125.63 10.02 Favored 'Trans proline' 0 C--N 1.305 -1.761 0 C-N-CA 122.763 2.309 . . . . 0.0 112.174 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 42.8 mtp180 -65.72 137.45 57.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.534 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.693 ' O ' ' N ' ' A' ' 12' ' ' GLY . . . 151.48 30.67 0.04 OUTLIER Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -59.33 56.57 0.01 OUTLIER Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.693 ' N ' ' O ' ' A' ' 10' ' ' GLY . . . -108.27 -62.8 0.55 Allowed Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.884 -0.887 . . . . 0.0 110.884 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.548 ' HD2' ' H ' ' A' ' 12' ' ' GLY . 61.3 Cg_exo -46.49 -49.63 11.6 Favored 'Trans proline' 0 C--N 1.305 -1.736 0 C-N-CA 122.827 2.351 . . . . 0.0 112.114 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 51.6 p -62.9 95.63 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.533 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.553 ' O ' HD12 ' A' ' 19' ' ' ILE . 2.6 p -109.76 -154.17 0.53 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.612 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.441 ' H ' ' HB2' ' A' ' 15' ' ' SER . 8.5 m -88.38 -9.48 52.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.56 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -79.94 -51.53 8.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.505 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.472 ' CD ' ' O ' ' A' ' 18' ' ' GLN . 22.2 tm0? -66.99 -24.26 66.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.494 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.553 HD12 ' O ' ' A' ' 15' ' ' SER . 93.9 mt -81.64 -55.45 7.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.535 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 53.0 ttp -53.06 -36.69 60.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.528 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.454 ' O ' HD13 ' A' ' 25' ' ' LEU . 34.4 mmtm -67.19 -46.21 74.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.516 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.434 HG22 ' O ' ' A' ' 22' ' ' THR . 32.0 m -72.31 -7.85 51.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.463 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -79.64 -53.97 4.13 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.676 ' O ' ' NE2' ' A' ' 28' ' ' GLN . . . -78.46 -9.07 59.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.762 0.315 . . . . 0.0 110.48 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.547 ' O ' ' C ' ' A' ' 26' ' ' LEU . 2.1 mp -86.86 -80.62 0.24 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.544 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.547 ' C ' ' O ' ' A' ' 25' ' ' LEU . 55.9 tp -26.97 -65.73 0.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.636 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.54 ' O ' HG12 ' A' ' 31' ' ' ILE . 6.3 tt -51.21 -57.93 7.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.541 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.676 ' NE2' ' O ' ' A' ' 24' ' ' ALA . 2.6 mp0 -47.42 -18.17 0.11 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.58 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.537 ' O ' ' N ' ' A' ' 31' ' ' ILE . . . -88.44 -72.67 1.28 Allowed Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 41.9 t80 -42.21 -18.93 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.828 0.347 . . . . 0.0 110.607 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.54 HG12 ' O ' ' A' ' 27' ' ' LEU . 31.0 mm -76.95 -69.08 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.595 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.599 ' HG2' ' O ' ' A' ' 32' ' ' GLN . 49.7 tt0 -79.03 30.14 0.21 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.548 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.412 ' H ' ' C ' ' A' ' 31' ' ' ILE . 67.4 t0 -113.08 -50.88 2.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.586 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.47 ' NH2' ' OD2' ' A' ' 71' ' ' ASP . 14.6 ptm180 -91.5 -26.49 18.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.588 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.456 ' CB ' HD22 ' A' ' 122' ' ' LEU . . . -99.76 -12.3 20.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.525 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -72.46 155.6 51.43 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 75.7 ttt180 -130.17 133.88 46.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.805 0.336 . . . . 0.0 110.531 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 64.9 mtt -61.16 -49.07 78.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.555 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -80.97 0.8 86.55 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -73.24 146.05 37.1 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.419 ' OE1' ' HA ' ' A' ' 41' ' ' GLU . 37.9 tp10 -124.7 152.49 43.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.789 0.328 . . . . 0.0 110.528 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 57.31 75.2 0.58 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.568 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -71.08 134.52 25.36 Favored 'Trans proline' 0 C--N 1.303 -1.819 0 C-N-CA 122.862 2.375 . . . . 0.0 112.131 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.416 ' HG3' HD11 ' A' ' 125' ' ' LEU . 71.4 mm-40 -77.3 -16.08 59.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.606 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.568 HD21 ' O ' ' A' ' 28' ' ' GLN . 18.5 tp -93.16 67.82 4.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.519 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.566 ' O ' ' HB2' ' A' ' 47' ' ' LEU . . . -87.92 127.53 35.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.535 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.566 ' HB2' ' O ' ' A' ' 46' ' ' ALA . 22.5 tp 156.89 -39.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.569 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 35.0 m-20 -122.45 67.75 28.59 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.575 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.452 ' HD3' ' C ' ' A' ' 47' ' ' LEU . 50.6 Cg_exo -49.33 -50.74 12.16 Favored 'Trans proline' 0 C--N 1.306 -1.708 0 C-N-CA 122.902 2.401 . . . . 0.0 112.145 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.46 ' O ' ' O ' ' A' ' 51' ' ' PRO . 19.0 m -139.54 140.89 26.61 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.683 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.46 ' O ' ' O ' ' A' ' 50' ' ' VAL . 40.8 Cg_exo -52.7 -158.93 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.723 0 C-N-CA 122.782 2.321 . . . . 0.0 112.072 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.448 ' C ' ' CD ' ' A' ' 52' ' ' GLN . 5.2 tm0? -149.64 -62.12 0.22 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.478 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 48.3 p-10 -114.23 158.01 21.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.533 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -78.46 -0.78 30.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.573 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 23.0 m -65.61 -39.52 91.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.564 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 12.5 t -83.74 -34.01 24.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.525 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -49.06 -55.11 13.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.552 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 30.0 ttpt -59.42 -48.51 81.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.587 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.639 ' O ' HD23 ' A' ' 59' ' ' LEU . 0.8 OUTLIER -61.2 -26.12 67.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.625 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.6 t -71.52 -35.31 70.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.527 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.09 -31.59 72.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.593 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 94.0 m -64.39 -37.75 88.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.532 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.471 ' N ' HD12 ' A' ' 63' ' ' LEU . 9.0 mp -75.41 -24.57 57.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.588 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 65.3 tttp -84.2 -36.81 22.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.595 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.425 ' O ' ' OE2' ' A' ' 69' ' ' GLU . 79.5 ttt180 -68.26 -44.88 74.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.591 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 18.8 tt -76.06 -35.2 28.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.586 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.424 ' O ' ' CB ' ' A' ' 71' ' ' ASP . . . -60.79 -45.5 96.34 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.418 ' OD1' ' O ' ' A' ' 68' ' ' ASP . 68.5 t0 -62.79 -34.39 77.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.804 0.335 . . . . 0.0 110.54 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.549 ' OE1' ' N ' ' A' ' 69' ' ' GLU . 0.3 OUTLIER -79.51 -58.69 3.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.527 -179.952 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 2.1 mt -55.01 -43.05 73.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.593 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.47 ' OD2' ' NH2' ' A' ' 34' ' ' ARG . 55.8 t0 -65.07 -8.72 17.66 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.581 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.5 t -96.39 7.06 47.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.6 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -93.0 111.36 22.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.576 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 98.1 mmm -68.23 -11.21 58.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.58 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -80.41 -67.23 0.79 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.571 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 54.9 tp -59.81 -40.27 87.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.585 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 7.2 tm0? -61.87 -37.86 86.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.579 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 76.1 ttt180 -68.6 -44.83 73.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.578 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.486 ' SD ' HG23 ' A' ' 182' ' ' THR . 74.0 mtp -54.55 -43.96 72.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.536 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.642 ' O ' HG12 ' A' ' 83' ' ' VAL . 84.0 mt -62.31 -23.7 32.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.519 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -86.09 -18.67 31.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.541 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -86.4 -15.48 40.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.585 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.874 ' O ' HG13 ' A' ' 83' ' ' VAL . 8.2 p -89.35 82.81 2.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.522 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.423 ' O ' ' O ' ' A' ' 83' ' ' VAL . 53.0 p-10 -40.62 162.43 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.552 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 72.8 p -119.63 119.99 35.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.585 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -148.9 -0.2 0.52 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.445 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.705 ' O ' HG12 ' A' ' 91' ' ' VAL . 45.8 t -175.83 88.6 0.29 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.493 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.495 ' O ' ' CB ' ' A' ' 92' ' ' PHE . 37.5 Cg_endo -69.27 -15.17 38.72 Favored 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.787 2.325 . . . . 0.0 112.116 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 16.8 ptt-85 -86.51 -33.95 20.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.573 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -79.55 -57.26 3.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.58 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.705 HG12 ' O ' ' A' ' 87' ' ' SER . 9.0 p -57.7 -51.1 74.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.501 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.651 ' N ' HG13 ' A' ' 91' ' ' VAL . 85.7 t80 -46.3 -52.06 13.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.471 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -67.97 -30.38 69.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.529 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 16.0 tpp180 -71.58 -57.95 3.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.503 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.623 HG23 ' N ' ' A' ' 96' ' ' ALA . 27.2 m -59.33 -48.04 88.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.567 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.623 ' N ' HG23 ' A' ' 95' ' ' VAL . . . -55.2 -27.61 47.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.581 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -81.93 -38.89 24.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.518 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 99' ' ' MET . 99.1 m-20 -63.1 -38.73 92.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.581 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' MET . . . . . 0.53 ' HB2' HH21 ' A' ' 109' ' ' ARG . 64.7 mtt -38.36 -68.81 0.14 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.594 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.6 ' CD2' ' O ' ' A' ' 100' ' ' PHE . 16.3 p90 -111.29 57.48 0.63 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.568 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.2 t -74.72 -26.76 60.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.552 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.532 ' O ' ' C ' ' A' ' 103' ' ' GLY . 54.6 p-10 -155.64 -18.35 0.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.52 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.532 ' C ' ' O ' ' A' ' 102' ' ' ASP . . . -26.25 -80.71 0.01 OUTLIER Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ASN . . . . . 0.606 ' O ' ' CG ' ' A' ' 105' ' ' PHE . 10.1 m-20 174.49 34.36 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.795 0.331 . . . . 0.0 110.597 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.606 ' CG ' ' O ' ' A' ' 104' ' ' ASN . 27.8 p90 42.67 29.0 0.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.616 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.52 ' O ' ' HB2' ' A' ' 107' ' ' TRP . 28.2 p30 -52.07 -110.46 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.559 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' TRP . . . . . 0.549 ' HE1' HD12 ' A' ' 148' ' ' LEU . 6.5 t90 174.67 -26.28 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.542 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.592 ' O ' HG12 ' A' ' 111' ' ' VAL . . . -50.14 -42.06 39.65 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.53 HH21 ' HB2' ' A' ' 99' ' ' MET . 0.0 OUTLIER -48.1 -26.2 1.76 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.847 0.356 . . . . 0.0 110.506 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.538 HG21 ' NE1' ' A' ' 107' ' ' TRP . 36.5 t -52.49 -57.93 3.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.553 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.592 HG12 ' O ' ' A' ' 108' ' ' GLY . 4.7 p -45.24 -46.79 3.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.578 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.58 ' N ' HG13 ' A' ' 111' ' ' VAL . . . -58.09 -34.98 70.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.525 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.664 ' O ' HD23 ' A' ' 113' ' ' LEU . 1.9 tt -57.0 -46.87 81.96 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.557 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -57.16 -44.05 83.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.495 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 93.1 t80 -68.01 -43.63 78.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.508 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.462 ' CE2' HG21 ' A' ' 95' ' ' VAL . 93.2 t80 -59.0 -41.79 88.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.58 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.499 ' O ' HG23 ' A' ' 121' ' ' VAL . . . -71.03 -32.53 69.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.56 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 5.3 t -48.6 -44.43 37.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.581 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.818 ' O ' ' CB ' ' A' ' 123' ' ' LYS . 57.8 mmtt -59.63 -43.71 93.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.497 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 52.6 mt -68.02 -31.57 71.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.544 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.726 HG13 HG23 ' A' ' 133' ' ' ILE . 55.8 t -76.84 -53.5 14.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.602 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.456 HD22 ' CB ' ' A' ' 35' ' ' ALA . 70.7 mt -72.89 -41.0 65.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.493 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.818 ' CB ' ' O ' ' A' ' 119' ' ' LYS . 65.4 tttm -58.01 -41.25 82.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.571 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.531 ' O ' ' OG1' ' A' ' 127' ' ' THR . . . -75.44 -22.23 57.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.504 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.42 HD12 ' HA ' ' A' ' 125' ' ' LEU . 37.5 tp -62.9 -32.4 73.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.548 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 1.6 t -82.9 -36.02 25.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.55 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.751 ' O ' ' HB2' ' A' ' 128' ' ' LYS . 33.2 p -53.21 -19.15 2.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.59 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.751 ' HB2' ' O ' ' A' ' 127' ' ' THR . 66.3 mttm 87.62 44.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.584 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.482 ' CG2' ' OG1' ' A' ' 127' ' ' THR . 0.5 OUTLIER -147.74 89.53 5.34 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.601 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 130' ' ' PRO . . . . . 0.403 ' HA ' HG12 ' A' ' 133' ' ' ILE . 43.4 Cg_endo -71.6 -13.73 30.09 Favored 'Trans proline' 0 C--N 1.304 -1.774 0 C-N-CA 122.713 2.275 . . . . 0.0 112.006 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -65.06 -40.68 95.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.555 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 8.6 mp -61.57 -34.08 74.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.472 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.726 HG23 HG13 ' A' ' 121' ' ' VAL . 21.2 mm -56.81 -50.16 76.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.489 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 78.9 mtp85 -69.09 -34.81 75.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.543 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 7.2 m -67.2 -31.89 72.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.514 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.437 HG21 ' CG2' ' A' ' 121' ' ' VAL . 39.2 mt -69.9 -58.78 4.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.512 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 12.2 mtp -46.45 -25.53 0.68 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.52 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -68.69 -40.45 85.55 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 139' ' ' TRP . . . . . 0.518 ' CD1' ' N ' ' A' ' 139' ' ' TRP . 11.9 m0 -66.36 -24.42 66.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.756 0.313 . . . . 0.0 110.508 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 140' ' ' THR . . . . . 0.468 ' OG1' ' N ' ' A' ' 141' ' ' LEU . 23.4 p -75.51 -65.93 0.84 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.526 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.468 ' N ' ' OG1' ' A' ' 140' ' ' THR . 53.4 mt -51.71 -33.71 35.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.48 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -65.65 -51.12 61.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.577 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 143' ' ' PHE . . . . . 0.523 ' O ' ' HB2' ' A' ' 147' ' ' ARG . 39.1 t80 -66.86 -38.81 87.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.568 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.546 HD12 ' HB2' ' A' ' 148' ' ' LEU . 1.4 tp -71.12 -35.45 71.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.535 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 59.1 ttp180 -83.06 -10.66 58.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.549 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -111.98 -4.66 14.46 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.569 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 147' ' ' ARG . . . . . 1.151 ' O ' ' N ' ' A' ' 149' ' ' LEU . 0.7 OUTLIER -142.18 -110.89 0.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.572 -179.902 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 148' ' ' LEU . . . . . 0.818 ' H ' HD22 ' A' ' 148' ' ' LEU . 1.0 OUTLIER -15.4 -27.83 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.561 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 149' ' ' LEU . . . . . 1.151 ' N ' ' O ' ' A' ' 147' ' ' ARG . 42.2 tp -49.02 -56.37 9.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.567 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -63.8 -50.67 59.64 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 151' ' ' TRP . . . . . . . . . . . . . 95.5 m95 -66.29 -55.82 14.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.784 0.326 . . . . 0.0 110.559 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 152' ' ' ILE . . . . . 0.697 ' N ' ' O ' ' A' ' 148' ' ' LEU . 9.5 tt -51.37 -34.21 14.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.581 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 55.8 tt0 -67.48 -31.2 71.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.594 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -89.21 -4.54 58.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.574 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -97.4 0.63 48.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.548 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 83.81 24.71 48.49 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 89.71 -160.36 28.82 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . 65.0 m95 -73.85 -5.61 42.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.76 0.315 . . . . 0.0 110.615 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -60.98 -42.36 98.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.569 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -54.4 -32.19 51.89 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 161' ' ' LEU . . . . . 0.558 ' O ' HD23 ' A' ' 161' ' ' LEU . 2.0 tt -62.95 -53.99 45.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.818 0.342 . . . . 0.0 110.58 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 56.3 tp -67.06 -31.05 71.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.606 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 5.3 t -66.79 -26.47 66.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.475 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 94.3 t80 -76.39 -42.78 43.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.553 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -71.64 47.82 0.14 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.518 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -130.58 38.6 1.92 Allowed Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 167' ' ' THR . . . . . 1.069 ' OG1' ' HD2' ' A' ' 168' ' ' PRO . 0.6 OUTLIER -108.04 -179.33 0.68 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 120.915 0.388 . . . . 0.0 110.611 179.953 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 168' ' ' PRO . . . . . 1.069 ' HD2' ' OG1' ' A' ' 167' ' ' THR . 56.1 Cg_endo -74.41 -146.71 0.03 OUTLIER 'Trans proline' 0 C--N 1.304 -1.768 0 C-N-CA 122.891 2.394 . . . . 0.0 112.073 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 169' ' ' THR . . . . . 0.6 ' C ' ' O ' ' A' ' 168' ' ' PRO . 32.9 p -21.65 100.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.492 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 170' ' ' TRP . . . . . 0.684 ' O ' HG22 ' A' ' 173' ' ' VAL . 29.5 p90 -64.49 -18.46 64.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.613 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 171' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.31 -14.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.524 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 172' ' ' THR . . . . . 0.518 ' O ' HG22 ' A' ' 175' ' ' ILE . 99.4 m -87.13 -29.46 21.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.504 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 173' ' ' VAL . . . . . 0.684 HG22 ' O ' ' A' ' 170' ' ' TRP . 2.0 m -72.18 -45.61 61.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.529 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 174' ' ' THR . . . . . 0.566 ' N ' ' CG2' ' A' ' 173' ' ' VAL . 25.1 m -64.59 -24.87 67.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.541 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 175' ' ' ILE . . . . . 0.518 HG22 ' O ' ' A' ' 172' ' ' THR . 1.8 tt -85.79 -7.61 10.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.544 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 176' ' ' PHE . . . . . 0.483 ' O ' HG12 ' A' ' 180' ' ' VAL . 62.7 t80 -94.52 -60.14 1.78 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.603 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 3.2 m -62.07 -16.75 16.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.516 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 178' ' ' ALA . . . . . 0.623 ' O ' ' OG1' ' A' ' 182' ' ' THR . . . -95.58 -45.86 6.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.567 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -62.36 -26.16 67.64 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 180' ' ' VAL . . . . . 0.699 HG13 ' N ' ' A' ' 181' ' ' LEU . 13.7 p -86.25 -51.65 12.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.783 0.325 . . . . 0.0 110.601 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 181' ' ' LEU . . . . . 0.699 ' N ' HG13 ' A' ' 180' ' ' VAL . 40.6 tp -69.33 -47.93 62.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.573 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 182' ' ' THR . . . . . 0.623 ' OG1' ' O ' ' A' ' 178' ' ' ALA . 25.8 m -50.54 -51.32 48.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.551 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -47.45 -45.68 26.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.561 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 184' ' ' SER . . . . . . . . . . . . . 27.5 t -54.47 -37.9 65.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.559 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 61.2 mt -77.55 -21.83 51.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.556 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 21.8 m -73.2 -44.87 59.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.539 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 187' ' ' ILE . . . . . 0.638 HG23 ' N ' ' A' ' 188' ' ' TRP . 12.5 tt -73.76 -51.46 24.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.634 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 188' ' ' TRP . . . . . 0.638 ' N ' HG23 ' A' ' 187' ' ' ILE . 0.1 OUTLIER -30.81 -56.94 0.22 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.523 179.94 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 8.0 mmtt -175.71 128.24 0.24 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.538 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 190' ' ' LYS . . . . . . . . . . . . . 14.8 ptmt -109.81 89.56 3.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.679 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 191' ' ' MET . . . . . . . . . . . . . 83.8 mtp -128.64 136.55 50.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.539 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.804 0 CA-C-O 117.996 -1.447 . . . . 0.0 110.941 179.977 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 130' ' ' CYS . . . . . 0.492 ' SG ' ' N ' ' B' ' 131' ' ' GLU . 14.5 t . . . . . 0 N--CA 1.491 1.615 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 131' ' ' GLU . . . . . 0.492 ' N ' ' SG ' ' B' ' 130' ' ' CYS . 71.8 mm-40 -71.98 -165.56 0.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.505 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 132' ' ' ALA . . . . . 0.434 ' O ' ' O ' ' B' ' 131' ' ' GLU . . . 51.95 171.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.553 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 83.8 mt -78.35 -4.43 48.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.621 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 134' ' ' LYS . . . . . . . . . . . . . 9.0 mtpm? 45.91 -107.37 0.14 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.554 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 135' ' ' LYS . . . . . 0.415 ' O ' ' HB3' ' B' ' 136' ' ' ALA . 30.3 mmtp -93.25 -171.25 2.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.552 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 136' ' ' ALA . . . . . 0.415 ' HB3' ' O ' ' B' ' 135' ' ' LYS . . . 64.29 51.56 2.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.607 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 137' ' ' LEU . . . . . 0.715 HD22 ' N ' ' B' ' 137' ' ' LEU . 3.4 mm? -74.24 -110.54 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.598 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 138' ' ' ARG . . . . . . . . . . . . . 65.8 ttt180 -64.46 -15.76 61.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.511 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 139' ' ' ARG . . . . . . . . . . . . . 60.5 ttp180 -63.39 -41.39 98.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.595 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 140' ' ' HIS . . . . . 0.614 ' O ' ' N ' ' B' ' 143' ' ' LEU . 0.1 OUTLIER -80.86 -64.23 1.24 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.539 179.942 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 141' ' ' ARG . . . . . 0.454 ' C ' ' O ' ' B' ' 140' ' ' HIS . 70.2 ttt180 -35.24 -32.32 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.525 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 142' ' ' PHE . . . . . 0.503 ' N ' ' O ' ' B' ' 140' ' ' HIS . 84.1 t80 -90.18 -33.13 16.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.608 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 143' ' ' LEU . . . . . 0.614 ' N ' ' O ' ' B' ' 140' ' ' HIS . 29.7 tp -55.31 -35.57 65.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.613 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 144' ' ' TRP . . . . . 0.484 ' O ' ' C ' ' B' ' 145' ' ' GLN . 38.0 t-105 -84.82 -57.38 3.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.53 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 145' ' ' GLN . . . . . 0.484 ' C ' ' O ' ' B' ' 144' ' ' TRP . 70.9 mt-30 -32.94 -69.21 0.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.489 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 146' ' ' ARG . . . . . . . . . . . . . 36.4 ttm180 40.25 54.61 2.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.55 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 147' ' ' ARG . . . . . . . . . . . . . 93.8 mtt180 -65.05 -38.87 92.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.582 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 148' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -74.11 115.05 13.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.593 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 149' ' ' ARG . . . . . 0.436 ' O ' ' HG2' ' B' ' 149' ' ' ARG . 74.0 ttt180 50.14 69.45 0.61 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.601 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 150' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.538 -179.976 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.498 ' HG2' ' N ' ' A' ' 2' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.365 -0.605 . . . . 0.0 109.365 . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.916 ' OD1' ' N ' ' A' ' 3' ' ' GLY . 56.6 p-10 -51.49 -59.08 4.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.509 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.916 ' N ' ' OD1' ' A' ' 2' ' ' ASP . . . 91.18 -66.67 2.4 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 20.7 m -160.51 -45.49 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.738 0.304 . . . . 0.0 110.55 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -172.88 -131.98 1.45 Allowed Glycine 0 CA--C 1.526 0.762 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.81 ' O ' ' CB ' ' A' ' 7' ' ' GLN . 0.2 OUTLIER -140.75 94.16 2.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.758 0.313 . . . . 0.0 110.586 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.923 ' H ' ' CD ' ' A' ' 8' ' ' PRO . 4.5 tp-100 117.43 30.33 0.0 OUTLIER Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.596 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.923 ' CD ' ' H ' ' A' ' 7' ' ' GLN . 43.4 Cg_endo -71.52 121.57 7.83 Favored 'Trans proline' 0 C--N 1.303 -1.819 0 C-N-CA 122.778 2.319 . . . . 0.0 111.951 179.837 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 23.6 mtp180 -88.1 147.65 24.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.685 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.496 ' O ' ' C ' ' A' ' 11' ' ' GLY . . . -155.78 116.46 0.72 Allowed Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.889 -0.885 . . . . 0.0 110.889 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.496 ' C ' ' O ' ' A' ' 10' ' ' GLY . . . -32.3 128.25 0.27 Allowed Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.605 ' N ' ' HD3' ' A' ' 13' ' ' PRO . . . 82.68 50.06 4.86 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 1.077 ' O ' ' N ' ' A' ' 15' ' ' SER . 54.3 Cg_exo -47.21 -60.48 0.86 Allowed 'Trans proline' 0 C--N 1.305 -1.742 0 C-N-CA 122.705 2.27 . . . . 0.0 112.088 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.683 ' C ' ' O ' ' A' ' 13' ' ' PRO . 6.2 p 0.82 48.23 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.536 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' SER . . . . . 1.077 ' N ' ' O ' ' A' ' 13' ' ' PRO . 10.2 p -36.9 87.31 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.598 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.631 ' N ' ' O ' ' A' ' 14' ' ' THR . 58.2 m -98.74 -14.58 19.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.569 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -93.03 -50.55 5.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.572 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -55.82 -32.84 63.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.647 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.84 HD12 ' O ' ' A' ' 15' ' ' SER . 88.1 mt -75.06 -51.13 22.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.645 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 54.8 ttp -57.39 -36.22 71.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.709 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.441 ' O ' HD12 ' A' ' 25' ' ' LEU . 25.0 mtpp -68.11 -43.78 77.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.708 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 46.8 m -72.78 -13.64 61.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.635 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -74.85 -54.14 6.0 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.05 -10.89 59.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.797 0.332 . . . . 0.0 110.644 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.532 ' O ' ' C ' ' A' ' 26' ' ' LEU . 36.9 mt -86.31 -78.7 0.27 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.598 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.532 ' C ' ' O ' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -28.69 -64.69 0.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.663 179.933 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.405 ' C ' ' N ' ' A' ' 29' ' ' GLY . 6.0 tp -52.34 -56.72 12.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.641 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.48 ' HG2' HD21 ' A' ' 45' ' ' LEU . 0.9 OUTLIER -48.49 -18.1 0.21 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.579 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.531 ' O ' ' N ' ' A' ' 31' ' ' ILE . . . -88.63 -72.29 1.27 Allowed Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 41.9 t80 -42.51 -18.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.789 0.328 . . . . 0.0 110.532 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.531 ' N ' ' O ' ' A' ' 29' ' ' GLY . 87.1 mt -76.94 -68.95 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.613 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.555 ' O ' ' HG3' ' A' ' 32' ' ' GLN . 55.4 tp60 -79.06 29.8 0.21 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.533 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.412 ' H ' ' C ' ' A' ' 31' ' ' ILE . 59.3 t0 -112.76 -51.17 2.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.529 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 -91.21 -27.02 18.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.536 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.468 ' CB ' HD22 ' A' ' 122' ' ' LEU . . . -98.89 -13.05 20.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.576 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -94.96 118.28 5.81 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.845 -0.902 . . . . 0.0 110.845 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 95.8 mtt-85 -75.34 -119.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.784 0.326 . . . . 0.0 110.504 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 53.3 ttp -62.43 -42.74 99.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.515 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 84.86 173.23 49.77 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 74.08 9.78 80.57 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.946 -0.861 . . . . 0.0 110.946 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 31.5 tp10 -111.82 56.16 0.66 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.749 0.309 . . . . 0.0 110.551 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.62 ' N ' ' HD3' ' A' ' 43' ' ' PRO . . . 61.62 50.81 1.91 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.563 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.62 ' HD3' ' N ' ' A' ' 42' ' ' ALA . 50.5 Cg_exo -48.95 153.93 3.56 Favored 'Trans proline' 0 C--N 1.305 -1.748 0 C-N-CA 122.848 2.365 . . . . 0.0 112.074 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 51.3 mp0 -91.83 -13.01 32.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.615 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.48 HD21 ' HG2' ' A' ' 28' ' ' GLN . 43.3 tp -97.5 61.23 1.64 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.596 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.527 ' O ' ' HB2' ' A' ' 47' ' ' LEU . . . -66.83 143.89 56.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.535 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.657 ' CG ' ' H ' ' A' ' 48' ' ' ASP . 3.3 tp 174.86 -149.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.51 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.657 ' H ' ' CG ' ' A' ' 47' ' ' LEU . 10.9 p-10 -105.0 83.25 0.79 Allowed Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.469 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.496 ' HD3' ' O ' ' A' ' 47' ' ' LEU . 33.4 Cg_endo -67.7 105.9 1.19 Allowed 'Trans proline' 0 C--N 1.306 -1.701 0 C-N-CA 122.726 2.284 . . . . 0.0 112.019 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 4.6 m -124.4 91.46 49.49 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.577 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -65.67 1.0 2.47 Favored 'Trans proline' 0 C--N 1.306 -1.702 0 C-N-CA 122.75 2.3 . . . . 0.0 112.087 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.555 ' O ' ' O ' ' A' ' 53' ' ' ASP . 53.2 mt-30 -70.57 -174.78 0.93 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.488 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.555 ' O ' ' O ' ' A' ' 52' ' ' GLN . 68.2 t0 44.66 105.09 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.579 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -79.66 1.77 25.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.603 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 44.0 m -62.31 -38.92 91.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.544 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 76.9 p -83.98 -34.17 24.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.596 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -49.19 -55.26 13.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.595 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -59.31 -48.51 81.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.61 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.619 ' O ' HD23 ' A' ' 59' ' ' LEU . 0.8 OUTLIER -61.26 -26.07 67.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.605 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.5 t -71.57 -35.27 70.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.508 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 76.1 mt-10 -64.09 -31.58 72.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.539 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.43 ' O ' HG22 ' A' ' 66' ' ' ILE . 90.8 m -64.47 -37.67 88.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.498 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.45 ' N ' HD12 ' A' ' 63' ' ' LEU . 10.1 mp -75.41 -24.61 57.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.577 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -84.32 -36.6 22.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.626 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.428 ' O ' ' OE2' ' A' ' 69' ' ' GLU . 99.7 mtt180 -68.52 -44.5 74.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.556 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.43 HG22 ' O ' ' A' ' 62' ' ' CYS . 20.6 tt -76.42 -35.07 26.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.638 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.425 ' O ' ' CB ' ' A' ' 71' ' ' ASP . . . -61.02 -45.41 96.65 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -62.68 -34.37 76.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.782 0.325 . . . . 0.0 110.59 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.549 ' OE1' ' N ' ' A' ' 69' ' ' GLU . 0.3 OUTLIER -79.63 -58.45 3.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.596 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.16 -43.11 73.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.514 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.425 ' CB ' ' O ' ' A' ' 67' ' ' GLY . 38.7 t70 -64.97 -8.83 17.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.561 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.9 t -96.38 7.05 47.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.525 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -92.93 111.44 23.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.578 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.954 ' SD ' ' OE2' ' B' ' 131' ' ' GLU . 41.8 ttp -68.33 -11.12 59.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.513 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -80.44 -67.21 0.79 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.549 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 7.2 tp -59.82 -40.28 87.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.598 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 8.3 tm0? -61.85 -37.9 86.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.552 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 74.2 ttt180 -68.49 -44.9 73.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.587 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.486 ' SD ' HG23 ' A' ' 182' ' ' THR . 74.1 mtp -54.56 -43.8 72.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.588 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.641 ' O ' HG12 ' A' ' 83' ' ' VAL . 84.4 mt -62.4 -23.73 33.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.531 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -86.06 -18.64 31.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.619 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -86.6 -15.15 40.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.569 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.885 ' O ' HG13 ' A' ' 83' ' ' VAL . 7.3 p -89.66 82.68 2.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.608 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.411 ' O ' ' O ' ' A' ' 83' ' ' VAL . 55.4 p-10 -40.73 161.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.524 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 67.3 p -119.23 119.65 34.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.549 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -148.4 -0.15 0.57 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.472 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.676 ' O ' HG12 ' A' ' 91' ' ' VAL . 37.1 t -175.84 87.69 0.29 Allowed Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.545 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.497 ' O ' ' CB ' ' A' ' 92' ' ' PHE . 36.3 Cg_endo -68.28 -15.4 42.39 Favored 'Trans proline' 0 C--N 1.305 -1.76 0 C-N-CA 122.829 2.353 . . . . 0.0 112.065 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 33.6 ptt-85 -85.66 -35.6 20.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.532 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -78.13 -58.38 3.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.567 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.676 HG12 ' O ' ' A' ' 87' ' ' SER . 10.2 p -56.28 -51.71 60.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.538 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.667 ' N ' HG13 ' A' ' 91' ' ' VAL . 85.9 t80 -45.84 -52.43 11.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.503 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -67.74 -30.61 70.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.474 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 15.9 tpp180 -71.33 -58.0 3.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.582 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.62 HG23 ' N ' ' A' ' 96' ' ' ALA . 28.4 m -59.36 -48.05 88.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.538 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.62 ' N ' HG23 ' A' ' 95' ' ' VAL . . . -55.13 -27.72 47.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.529 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -81.76 -38.89 24.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.571 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.41 ' O ' ' C ' ' A' ' 99' ' ' MET . 99.7 m-20 -63.22 -38.64 91.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.537 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' MET . . . . . 0.533 ' HB2' HH21 ' A' ' 109' ' ' ARG . 63.9 mtt -38.29 -68.92 0.14 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.554 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.601 ' CD2' ' O ' ' A' ' 100' ' ' PHE . 16.5 p90 -111.3 57.51 0.63 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.531 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.4 t -74.64 -26.83 60.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.533 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.552 ' O ' ' C ' ' A' ' 103' ' ' GLY . 55.7 p-10 -155.59 -18.4 0.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.59 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.552 ' C ' ' O ' ' A' ' 102' ' ' ASP . . . -26.3 -80.72 0.01 OUTLIER Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ASN . . . . . 0.608 ' O ' ' CG ' ' A' ' 105' ' ' PHE . 10.6 m-20 174.5 34.44 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.841 0.353 . . . . 0.0 110.522 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.608 ' CG ' ' O ' ' A' ' 104' ' ' ASN . 30.7 p90 42.61 29.19 0.15 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.541 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.519 ' CG ' ' H ' ' A' ' 107' ' ' TRP . 28.5 p30 -52.16 -110.43 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.541 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' TRP . . . . . 0.546 ' NE1' HG21 ' A' ' 110' ' ' VAL . 6.4 t90 174.53 -26.22 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.522 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.596 ' O ' HG12 ' A' ' 111' ' ' VAL . . . -50.06 -42.16 39.13 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.533 HH21 ' HB2' ' A' ' 99' ' ' MET . 0.0 OUTLIER -48.14 -26.1 1.74 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.764 0.316 . . . . 0.0 110.494 -179.921 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.546 HG21 ' NE1' ' A' ' 107' ' ' TRP . 37.4 t -52.63 -57.84 3.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.569 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.596 HG12 ' O ' ' A' ' 108' ' ' GLY . 4.8 p -45.3 -46.78 3.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.589 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.584 ' N ' HG13 ' A' ' 111' ' ' VAL . . . -58.13 -34.87 70.71 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.513 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.659 ' O ' HD23 ' A' ' 113' ' ' LEU . 1.8 tt -56.95 -46.88 81.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.523 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -57.25 -43.99 83.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.554 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 91.9 t80 -68.0 -43.62 78.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.446 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.451 ' CE2' HG21 ' A' ' 95' ' ' VAL . 92.9 t80 -59.04 -41.86 88.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.527 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.489 ' O ' HG23 ' A' ' 121' ' ' VAL . . . -70.98 -32.56 69.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.558 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 4.4 t -48.61 -44.34 36.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.554 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.821 ' O ' ' CB ' ' A' ' 123' ' ' LYS . 57.8 mmtt -59.71 -43.67 94.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.538 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 56.4 mt -68.18 -31.28 70.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.535 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.724 HG13 HG23 ' A' ' 133' ' ' ILE . 61.2 t -77.02 -53.56 14.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.572 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.468 HD22 ' CB ' ' A' ' 35' ' ' ALA . 69.4 mt -72.83 -40.98 65.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.596 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.821 ' CB ' ' O ' ' A' ' 119' ' ' LYS . 65.5 tttm -58.16 -41.04 82.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.535 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.52 ' O ' ' OG1' ' A' ' 127' ' ' THR . . . -75.68 -21.89 57.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.534 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 40.3 tp -63.0 -32.29 73.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.598 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' CYS . . . . . 0.435 ' SG ' ' N ' ' A' ' 127' ' ' THR . 17.6 p -83.21 -35.72 25.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.587 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.758 ' O ' ' HB2' ' A' ' 128' ' ' LYS . 35.2 p -53.63 -19.11 3.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.559 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.758 ' HB2' ' O ' ' A' ' 127' ' ' THR . 60.7 mttp 87.61 44.92 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.62 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.498 ' CG2' ' OG1' ' A' ' 127' ' ' THR . 0.2 OUTLIER -147.92 88.79 5.45 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.614 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -70.68 -14.22 33.01 Favored 'Trans proline' 0 C--N 1.305 -1.747 0 C-N-CA 122.737 2.291 . . . . 0.0 112.07 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -64.63 -41.16 96.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.517 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 8.5 mp -60.99 -34.24 74.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.517 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.724 HG23 HG13 ' A' ' 121' ' ' VAL . 21.0 mm -56.74 -50.08 75.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.471 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 17.4 mmm180 -69.22 -34.85 75.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.423 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 7.4 m -67.07 -31.92 72.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.497 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.425 HG21 ' CG2' ' A' ' 121' ' ' VAL . 44.8 mt -69.81 -58.89 4.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.492 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 86.3 mtp -46.46 -25.49 0.68 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.539 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -68.57 -40.56 86.02 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 139' ' ' TRP . . . . . 0.517 ' CD1' ' N ' ' A' ' 139' ' ' TRP . 12.2 m0 -66.34 -24.43 66.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.841 0.353 . . . . 0.0 110.501 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 140' ' ' THR . . . . . 0.504 ' OG1' ' N ' ' A' ' 141' ' ' LEU . 15.4 p -75.49 -65.86 0.84 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.521 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.504 ' N ' ' OG1' ' A' ' 140' ' ' THR . 54.2 mt -51.72 -33.65 35.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.514 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -65.75 -51.01 62.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.613 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 143' ' ' PHE . . . . . 0.527 ' O ' ' HB2' ' A' ' 147' ' ' ARG . 39.8 t80 -66.85 -38.88 87.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.552 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.602 HD12 ' HB2' ' A' ' 148' ' ' LEU . 2.4 tp -71.1 -35.44 71.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.523 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 58.9 ttp180 -83.08 -10.63 58.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.563 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -112.05 -4.57 14.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.604 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 147' ' ' ARG . . . . . 1.152 ' O ' ' N ' ' A' ' 149' ' ' LEU . 0.6 OUTLIER -142.28 -110.91 0.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.527 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 148' ' ' LEU . . . . . 0.819 ' H ' HD22 ' A' ' 148' ' ' LEU . 1.0 OUTLIER -15.31 -27.8 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.575 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 149' ' ' LEU . . . . . 1.152 ' N ' ' O ' ' A' ' 147' ' ' ARG . 59.2 tp -49.15 -56.2 9.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.638 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -63.97 -50.62 59.56 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 151' ' ' TRP . . . . . . . . . . . . . 99.6 m95 -66.25 -55.78 14.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.786 0.327 . . . . 0.0 110.613 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 152' ' ' ILE . . . . . 0.697 ' N ' ' O ' ' A' ' 148' ' ' LEU . 10.5 tt -51.35 -34.39 15.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.532 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 153' ' ' GLN . . . . . 0.683 ' NE2' HD11 ' A' ' 149' ' ' LEU . 50.4 mt-30 -67.39 -31.27 71.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.596 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -89.08 -4.47 58.33 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.592 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -97.55 0.82 48.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.609 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 83.73 24.63 49.07 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 89.85 -160.32 28.61 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.949 -0.861 . . . . 0.0 110.949 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 158' ' ' TRP . . . . . 0.414 ' CD1' HD11 ' A' ' 152' ' ' ILE . 53.6 m95 -73.94 -5.71 42.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.781 0.324 . . . . 0.0 110.556 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 67.5 t0 -60.88 -42.37 97.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.615 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -54.5 -32.15 52.58 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 161' ' ' LEU . . . . . 0.581 ' O ' HD23 ' A' ' 161' ' ' LEU . 2.0 tt -62.89 -54.14 43.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.818 0.342 . . . . 0.0 110.538 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 53.0 tp -67.0 -31.02 71.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.607 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 5.3 t -66.83 -26.28 66.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.483 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 93.6 t80 -76.66 -42.56 41.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.567 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -71.67 47.87 0.14 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.611 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -130.88 39.08 1.84 Allowed Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 167' ' ' THR . . . . . 1.041 ' OG1' ' HD2' ' A' ' 168' ' ' PRO . 0.6 OUTLIER -108.48 -179.81 0.74 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 120.909 0.385 . . . . 0.0 110.558 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 168' ' ' PRO . . . . . 1.041 ' HD2' ' OG1' ' A' ' 167' ' ' THR . 52.8 Cg_endo -73.48 -145.83 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.739 0 C-N-CA 122.837 2.358 . . . . 0.0 112.133 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 169' ' ' THR . . . . . 0.59 ' C ' ' O ' ' A' ' 168' ' ' PRO . 7.3 p -22.88 101.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.61 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 170' ' ' TRP . . . . . 0.691 ' O ' HG22 ' A' ' 173' ' ' VAL . 36.2 p90 -64.65 -18.54 65.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.557 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 171' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.16 -14.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.604 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 172' ' ' THR . . . . . 0.526 ' O ' HG22 ' A' ' 175' ' ' ILE . 5.2 m -86.78 -29.67 22.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.611 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 173' ' ' VAL . . . . . 0.691 HG22 ' O ' ' A' ' 170' ' ' TRP . 2.0 m -72.02 -45.6 62.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.577 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 174' ' ' THR . . . . . 0.562 ' N ' ' CG2' ' A' ' 173' ' ' VAL . 25.5 m -64.67 -24.86 67.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.544 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 175' ' ' ILE . . . . . 0.526 HG22 ' O ' ' A' ' 172' ' ' THR . 1.7 tt -85.79 -7.47 10.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.552 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 176' ' ' PHE . . . . . 0.486 ' O ' HG12 ' A' ' 180' ' ' VAL . 64.0 t80 -94.63 -59.99 1.81 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.624 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 3.2 m -62.21 -16.61 16.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.612 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 178' ' ' ALA . . . . . 0.628 ' O ' ' OG1' ' A' ' 182' ' ' THR . . . -95.54 -45.96 6.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.583 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -62.33 -26.11 67.53 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 180' ' ' VAL . . . . . 0.696 HG13 ' N ' ' A' ' 181' ' ' LEU . 13.8 p -86.3 -51.7 12.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.764 0.316 . . . . 0.0 110.515 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 181' ' ' LEU . . . . . 0.696 ' N ' HG13 ' A' ' 180' ' ' VAL . 43.9 tp -69.4 -47.88 62.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.592 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 182' ' ' THR . . . . . 0.628 ' OG1' ' O ' ' A' ' 178' ' ' ALA . 25.2 m -50.54 -51.38 48.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.581 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -47.35 -45.7 25.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.574 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 184' ' ' SER . . . . . . . . . . . . . 27.2 t -54.44 -37.89 65.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.587 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 61.1 mt -77.52 -21.81 52.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.609 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 20.8 m -73.24 -44.81 58.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.612 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 187' ' ' ILE . . . . . 0.637 HG23 ' N ' ' A' ' 188' ' ' TRP . 12.2 tt -73.7 -51.54 24.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.604 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 188' ' ' TRP . . . . . 0.637 ' N ' HG23 ' A' ' 187' ' ' ILE . 0.2 OUTLIER -30.87 -56.91 0.22 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.54 -179.952 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 7.9 mmtt -175.7 128.27 0.25 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.567 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 190' ' ' LYS . . . . . . . . . . . . . 34.9 pttt -109.81 89.47 3.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.625 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 191' ' ' MET . . . . . . . . . . . . . 83.5 mtp -128.54 136.59 50.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.578 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.726 0 CA-C-O 117.988 -1.451 . . . . 0.0 110.922 -179.985 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 130' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 131' ' ' GLU . . . . . 0.954 ' OE2' ' SD ' ' A' ' 74' ' ' MET . 90.6 mt-10 -57.83 -56.48 21.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.571 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 132' ' ' ALA . . . . . 0.58 ' O ' ' N ' ' B' ' 134' ' ' LYS . . . -156.37 -90.04 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.585 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 133' ' ' LEU . . . . . 0.698 HD12 ' N ' ' B' ' 133' ' ' LEU . 6.9 mp 51.11 -82.14 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.552 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 134' ' ' LYS . . . . . 0.58 ' N ' ' O ' ' B' ' 132' ' ' ALA . 36.5 ttmt -55.28 -49.28 72.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.58 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 135' ' ' LYS . . . . . 0.532 ' NZ ' ' O ' ' B' ' 131' ' ' GLU . 22.5 pttp -96.45 152.83 18.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.611 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 136' ' ' ALA . . . . . 0.423 ' C ' HD12 ' B' ' 137' ' ' LEU . . . -147.85 -146.19 0.19 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.523 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 137' ' ' LEU . . . . . 0.61 HD12 ' N ' ' B' ' 137' ' ' LEU . 9.6 mp -96.04 124.58 40.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.577 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 138' ' ' ARG . . . . . 0.537 ' O ' ' HB2' ' B' ' 142' ' ' PHE . 84.7 mtp180 -85.23 -14.02 48.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.544 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 139' ' ' ARG . . . . . 0.447 ' O ' ' HB2' ' B' ' 143' ' ' LEU . 79.7 mtp180 -61.32 -42.36 98.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.563 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 140' ' ' HIS . . . . . 0.739 ' O ' ' N ' ' B' ' 143' ' ' LEU . 63.5 t-80 -81.29 -67.52 0.77 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.444 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 141' ' ' ARG . . . . . 0.461 ' C ' ' O ' ' B' ' 140' ' ' HIS . 71.1 ttt180 -33.63 -29.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.427 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 142' ' ' PHE . . . . . 0.602 ' N ' ' O ' ' B' ' 140' ' ' HIS . 14.7 m-85 -94.45 -27.48 15.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.519 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 143' ' ' LEU . . . . . 0.866 ' O ' HD23 ' B' ' 143' ' ' LEU . 2.1 tt -62.46 -30.76 71.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.457 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 144' ' ' TRP . . . . . 0.427 ' O ' ' C ' ' B' ' 145' ' ' GLN . 65.6 t-105 -90.66 -52.5 4.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.577 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 145' ' ' GLN . . . . . 0.553 ' O ' ' O ' ' B' ' 146' ' ' ARG . 49.9 tt0 -36.55 -67.49 0.17 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.543 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 146' ' ' ARG . . . . . 0.553 ' O ' ' O ' ' B' ' 145' ' ' GLN . 89.3 mtm180 34.78 -160.11 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.604 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 147' ' ' ARG . . . . . . . . . . . . . 12.9 tpp180 -73.6 132.32 42.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.617 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 148' ' ' GLN . . . . . . . . . . . . . 87.4 mt-30 -50.53 141.94 11.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.535 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 149' ' ' ARG . . . . . 0.417 ' O ' ' O ' ' B' ' 150' ' ' ALA . 70.3 ttt180 52.34 74.94 0.25 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.611 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 150' ' ' ALA . . . . . 0.417 ' O ' ' O ' ' B' ' 149' ' ' ARG . . . . . . . . 0 C--O 1.22 -0.492 0 CA-C-O 118.025 -0.988 . . . . 0.0 110.542 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.3 ptt? . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 1.038 ' OD1' ' N ' ' A' ' 3' ' ' GLY . 52.2 p-10 -51.93 -64.32 0.85 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.585 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 1.038 ' N ' ' OD1' ' A' ' 2' ' ' ASP . . . 95.27 -50.18 1.89 Allowed Glycine 0 CA--C 1.526 0.746 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.1 m -163.68 -31.71 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.751 0.31 . . . . 0.0 110.562 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -163.66 -118.63 0.45 Allowed Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.784 ' O ' ' CB ' ' A' ' 7' ' ' GLN . 5.0 tp10 -137.79 105.03 5.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.808 0.337 . . . . 0.0 110.668 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.784 ' CB ' ' O ' ' A' ' 6' ' ' GLU . 7.7 tp-100 109.99 40.78 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.589 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.751 ' HD3' ' H ' ' A' ' 7' ' ' GLN . 55.5 Cg_endo -73.5 75.89 2.88 Favored 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.732 2.288 . . . . 0.0 112.123 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.742 ' O ' ' O ' ' A' ' 8' ' ' PRO . 37.3 mtp180 -29.7 162.8 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.622 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.478 ' O ' ' C ' ' A' ' 11' ' ' GLY . . . -158.61 95.23 0.14 Allowed Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.478 ' C ' ' O ' ' A' ' 10' ' ' GLY . . . -33.09 118.29 0.17 Allowed Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.71 ' N ' ' HD3' ' A' ' 13' ' ' PRO . . . 85.07 41.13 7.67 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.71 ' HD3' ' N ' ' A' ' 12' ' ' GLY . 57.2 Cg_exo -46.53 -81.41 0.02 OUTLIER 'Trans proline' 0 C--N 1.306 -1.685 0 C-N-CA 122.819 2.346 . . . . 0.0 112.032 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.644 ' C ' ' O ' ' A' ' 13' ' ' PRO . 32.3 p -15.6 101.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.58 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.795 ' O ' ' CD1' ' A' ' 19' ' ' ILE . 11.2 p -132.12 -151.21 0.45 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.601 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.418 ' H ' ' HB2' ' A' ' 15' ' ' SER . 20.6 m -95.87 -9.03 32.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.629 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -86.39 -49.78 7.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.642 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 98.3 mm-40 -66.16 -23.62 66.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.569 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.795 ' CD1' ' O ' ' A' ' 15' ' ' SER . 70.4 mt -81.76 -55.02 8.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.521 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 52.4 ttp -53.67 -36.33 62.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.46 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.405 ' O ' HD23 ' A' ' 25' ' ' LEU . 94.5 mttt -67.54 -45.92 74.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.481 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 40.3 p -72.49 -7.77 51.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.591 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -79.9 -53.98 4.05 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.21 -9.33 59.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.837 0.351 . . . . 0.0 110.512 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.547 ' O ' ' C ' ' A' ' 26' ' ' LEU . 2.1 mm? -86.72 -80.68 0.24 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.529 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.547 ' C ' ' O ' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -26.99 -65.53 0.07 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.624 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.49 ' N ' HD12 ' A' ' 27' ' ' LEU . 10.8 mp -51.39 -57.75 8.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.558 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -47.58 -18.04 0.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.582 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.539 ' O ' ' N ' ' A' ' 31' ' ' ILE . . . -88.64 -72.67 1.28 Allowed Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 44.8 t80 -42.23 -18.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.804 0.335 . . . . 0.0 110.598 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.539 ' N ' ' O ' ' A' ' 29' ' ' GLY . 73.1 mt -77.02 -69.1 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.568 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.86 29.77 0.2 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.636 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.412 ' H ' ' C ' ' A' ' 31' ' ' ILE . 68.3 t0 -112.7 -51.32 2.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.52 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 -90.95 -27.29 18.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.524 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.469 ' CB ' HD22 ' A' ' 122' ' ' LEU . . . -98.81 -12.8 20.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.606 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -87.61 2.98 86.42 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 84.5 mtp180 -59.58 -42.09 91.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.822 0.344 . . . . 0.0 110.59 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 9.6 ptt? -81.41 134.0 35.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.557 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 56.93 -136.61 50.12 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.426 ' O ' ' HG3' ' A' ' 43' ' ' PRO . . . 148.33 -20.65 1.36 Allowed Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 41.8 tp10 -73.84 134.4 43.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.801 0.334 . . . . 0.0 110.639 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.622 ' N ' ' HD3' ' A' ' 43' ' ' PRO . . . 56.27 50.11 4.91 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.525 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.622 ' HD3' ' N ' ' A' ' 42' ' ' ALA . 51.9 Cg_exo -47.79 153.74 2.29 Favored 'Trans proline' 0 C--N 1.305 -1.731 0 C-N-CA 122.842 2.362 . . . . 0.0 112.126 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 70.9 mt-10 -93.25 -9.81 37.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.564 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.422 HD22 ' HA ' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -103.53 66.1 0.86 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.53 -179.934 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -74.05 138.39 44.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.594 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.458 HD12 ' HA ' ' A' ' 47' ' ' LEU . 28.0 tp -170.97 -85.19 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.536 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.623 ' O ' HG12 ' A' ' 50' ' ' VAL . 22.0 m-20 -162.07 49.96 0.27 Allowed Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.542 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.6 ' HD3' ' N ' ' A' ' 48' ' ' ASP . 63.5 Cg_exo -46.15 87.34 0.02 OUTLIER 'Trans proline' 0 C--N 1.306 -1.708 0 C-N-CA 122.833 2.356 . . . . 0.0 112.167 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.821 ' O ' HG13 ' A' ' 50' ' ' VAL . 10.9 p -178.3 74.43 0.22 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.582 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -75.69 116.28 4.41 Favored 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 122.777 2.318 . . . . 0.0 112.06 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.423 ' HG3' ' N ' ' A' ' 53' ' ' ASP . 14.1 pt20 -89.64 -46.1 8.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.541 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.423 ' N ' ' HG3' ' A' ' 52' ' ' GLN . 87.7 m-20 -82.33 138.3 34.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.523 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -85.23 -3.14 58.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.567 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 72.6 p -56.65 -40.24 75.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.597 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 72.8 p -80.27 -33.75 37.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.578 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -51.06 -54.4 25.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.566 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 30.7 ttpt -60.42 -47.48 85.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.454 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.642 ' O ' HD23 ' A' ' 59' ' ' LEU . 0.9 OUTLIER -62.11 -26.44 68.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.568 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.6 t -71.38 -35.41 71.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.491 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -63.7 -31.83 73.12 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.589 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.444 ' O ' HG22 ' A' ' 66' ' ' ILE . 97.6 m -64.19 -37.88 89.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.547 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.464 ' N ' HD12 ' A' ' 63' ' ' LEU . 9.9 mp -75.29 -24.77 57.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.534 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -84.2 -36.69 22.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.595 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.436 ' O ' ' OE2' ' A' ' 69' ' ' GLU . 99.5 mtt180 -68.46 -44.51 74.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.571 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.444 HG22 ' O ' ' A' ' 62' ' ' CYS . 20.7 tt -76.47 -35.09 25.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.507 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.425 ' O ' ' CB ' ' A' ' 71' ' ' ASP . . . -60.97 -45.48 96.5 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 48.1 t0 -62.7 -34.28 76.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.793 0.33 . . . . 0.0 110.621 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.539 ' OE1' ' N ' ' A' ' 69' ' ' GLU . 0.3 OUTLIER -79.69 -58.41 3.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.598 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.19 -43.05 74.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.579 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.425 ' CB ' ' O ' ' A' ' 67' ' ' GLY . 38.5 t70 -65.05 -8.8 17.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.558 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.3 t -96.35 7.02 47.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.557 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -92.97 111.5 23.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.547 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.976 ' HE1' ' OE2' ' B' ' 131' ' ' GLU . 96.0 mmm -68.31 -11.12 58.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.59 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -80.52 -67.16 0.8 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.569 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 7.3 tp -59.9 -40.26 88.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.544 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.749 HE22 ' HZ2' ' A' ' 119' ' ' LYS . 68.0 tp60 -61.74 -37.97 86.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.55 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 -68.56 -44.94 73.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.552 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.485 ' SD ' HG23 ' A' ' 182' ' ' THR . 73.4 mtp -54.42 -43.99 72.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.545 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.641 ' O ' HG12 ' A' ' 83' ' ' VAL . 83.1 mt -62.33 -23.71 32.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.613 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -85.99 -18.77 31.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.562 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -86.49 -15.3 40.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.552 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.875 ' O ' HG13 ' A' ' 83' ' ' VAL . 8.0 p -89.57 82.64 2.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.586 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.426 ' O ' ' O ' ' A' ' 83' ' ' VAL . 56.1 p-10 -40.49 162.3 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.575 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 63.7 p -119.53 119.45 33.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.593 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -148.34 -0.17 0.58 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.467 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.695 ' O ' HG12 ' A' ' 91' ' ' VAL . 46.8 t -175.9 88.91 0.28 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.516 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.488 ' O ' ' CB ' ' A' ' 92' ' ' PHE . 37.9 Cg_endo -69.61 -14.93 37.3 Favored 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.791 2.327 . . . . 0.0 112.08 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 17.4 ptt-85 -86.81 -33.61 19.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.486 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -79.98 -57.22 3.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.495 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.695 HG12 ' O ' ' A' ' 87' ' ' SER . 9.6 p -57.94 -50.87 76.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.5 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.651 ' N ' HG13 ' A' ' 91' ' ' VAL . 85.5 t80 -46.34 -51.93 13.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.578 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -68.14 -30.35 69.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.515 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 15.9 tpp180 -71.62 -57.85 4.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.542 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.621 HG23 ' N ' ' A' ' 96' ' ' ALA . 27.8 m -59.48 -48.0 88.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.471 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.621 ' N ' HG23 ' A' ' 95' ' ' VAL . . . -55.22 -27.63 47.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.552 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -81.88 -38.9 24.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.494 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 99' ' ' MET . 92.5 m-20 -63.27 -38.56 91.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.514 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' MET . . . . . 0.542 ' HB2' HH21 ' A' ' 109' ' ' ARG . 64.0 mtt -38.45 -68.81 0.14 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.532 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.6 ' CD2' ' O ' ' A' ' 100' ' ' PHE . 17.2 p90 -111.31 57.44 0.63 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.544 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.2 t -74.62 -26.9 60.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.537 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.533 ' O ' ' C ' ' A' ' 103' ' ' GLY . 55.9 p-10 -155.53 -18.36 0.11 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.504 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.533 ' C ' ' O ' ' A' ' 102' ' ' ASP . . . -26.38 -80.72 0.01 OUTLIER Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ASN . . . . . 0.607 ' O ' ' CG ' ' A' ' 105' ' ' PHE . 10.3 m-20 174.57 34.33 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.766 0.317 . . . . 0.0 110.614 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.607 ' CG ' ' O ' ' A' ' 104' ' ' ASN . 30.6 p90 42.7 29.04 0.14 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.574 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.521 ' O ' ' HB2' ' A' ' 107' ' ' TRP . 27.9 p30 -52.13 -110.46 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.598 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' TRP . . . . . 0.543 ' NE1' HG21 ' A' ' 110' ' ' VAL . 6.6 t90 174.7 -26.21 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.599 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.595 ' O ' HG12 ' A' ' 111' ' ' VAL . . . -50.07 -42.07 39.07 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.542 HH21 ' HB2' ' A' ' 99' ' ' MET . 0.0 OUTLIER -48.14 -26.18 1.78 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.869 0.366 . . . . 0.0 110.584 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.543 HG21 ' NE1' ' A' ' 107' ' ' TRP . 33.8 t -52.5 -57.9 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.57 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.595 HG12 ' O ' ' A' ' 108' ' ' GLY . 4.8 p -45.22 -46.81 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.521 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.579 ' N ' HG13 ' A' ' 111' ' ' VAL . . . -57.94 -35.35 70.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.551 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.653 ' O ' HD23 ' A' ' 113' ' ' LEU . 1.8 tt -56.69 -46.89 80.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.525 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.445 ' CZ ' ' CG1' ' A' ' 110' ' ' VAL . 9.9 m-85 -56.97 -44.19 82.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.559 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 93.4 t80 -68.04 -43.7 78.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.522 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.453 ' CE2' HG21 ' A' ' 95' ' ' VAL . 93.3 t80 -58.94 -41.9 88.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.538 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.491 ' O ' HG23 ' A' ' 121' ' ' VAL . . . -70.93 -32.51 69.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.575 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 5.1 t -48.67 -44.42 37.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.507 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.819 ' O ' ' CB ' ' A' ' 123' ' ' LYS . 58.0 mmtt -59.65 -43.63 93.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.558 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 53.3 mt -68.13 -31.31 70.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.551 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.735 HG13 HG23 ' A' ' 133' ' ' ILE . 59.3 t -77.09 -53.45 14.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.564 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.469 HD22 ' CB ' ' A' ' 35' ' ' ALA . 69.0 mt -73.08 -40.5 64.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.674 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.819 ' CB ' ' O ' ' A' ' 119' ' ' LYS . 88.7 tttt -58.35 -40.86 83.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.609 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.509 ' O ' ' OG1' ' A' ' 127' ' ' THR . . . -76.29 -20.98 56.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.561 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 5.0 tt -64.01 -31.0 72.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.598 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 1.7 t -85.01 -34.44 22.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.527 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.777 ' O ' ' HB2' ' A' ' 128' ' ' LYS . 32.9 p -54.25 -18.76 4.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.525 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.777 ' HB2' ' O ' ' A' ' 127' ' ' THR . 27.5 mmtp 88.13 43.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.58 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.49 ' CG2' ' OG1' ' A' ' 127' ' ' THR . 0.3 OUTLIER -147.48 90.7 5.18 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.578 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -72.79 -13.15 26.78 Favored 'Trans proline' 0 C--N 1.304 -1.767 0 C-N-CA 122.807 2.338 . . . . 0.0 112.009 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -65.69 -40.78 92.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.485 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 8.5 mp -61.12 -33.76 73.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.559 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.735 HG23 HG13 ' A' ' 121' ' ' VAL . 21.7 mm -57.07 -49.91 78.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.504 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 90.0 mtm180 -69.2 -34.72 75.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.529 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 7.3 m -67.51 -31.84 72.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.491 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.417 HG21 ' CG2' ' A' ' 121' ' ' VAL . 45.4 mt -69.8 -58.71 4.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.576 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 85.8 mtp -46.51 -25.52 0.7 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.559 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -68.71 -40.45 85.48 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 139' ' ' TRP . . . . . 0.509 ' CD1' ' N ' ' A' ' 139' ' ' TRP . 12.6 m0 -66.33 -24.42 66.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.806 0.336 . . . . 0.0 110.531 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 140' ' ' THR . . . . . 0.469 ' OG1' ' N ' ' A' ' 141' ' ' LEU . 22.8 p -75.51 -65.94 0.83 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.524 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.469 ' N ' ' OG1' ' A' ' 140' ' ' THR . 50.8 mt -51.76 -33.55 35.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.576 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -65.79 -51.03 62.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.559 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 143' ' ' PHE . . . . . 0.425 ' O ' ' HB2' ' A' ' 147' ' ' ARG . 5.7 t80 -66.86 -38.91 87.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.517 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.568 HD12 ' HB2' ' A' ' 148' ' ' LEU . 1.8 tp -71.09 -35.49 71.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.558 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 58.2 ttp180 -83.05 -10.59 58.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.554 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -112.0 -4.75 14.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.603 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 147' ' ' ARG . . . . . 1.152 ' O ' ' N ' ' A' ' 149' ' ' LEU . 12.2 mtp180 -142.11 -110.84 0.13 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.546 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 148' ' ' LEU . . . . . 0.816 ' H ' HD22 ' A' ' 148' ' ' LEU . 1.0 OUTLIER -15.39 -27.76 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.567 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 149' ' ' LEU . . . . . 1.152 ' N ' ' O ' ' A' ' 147' ' ' ARG . 43.7 tp -49.06 -56.37 9.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.583 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -63.91 -50.59 59.95 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 151' ' ' TRP . . . . . . . . . . . . . 99.3 m95 -66.25 -55.91 13.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.83 0.348 . . . . 0.0 110.541 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 152' ' ' ILE . . . . . 0.697 ' N ' ' O ' ' A' ' 148' ' ' LEU . 10.5 tt -51.28 -34.34 14.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.553 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 46.5 tt0 -67.49 -31.16 71.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.597 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -89.09 -4.67 58.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.62 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -97.38 0.76 48.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.584 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 83.75 24.64 48.93 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 89.77 -160.4 28.77 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 158' ' ' TRP . . . . . 0.502 ' CD1' HD11 ' A' ' 152' ' ' ILE . 32.4 m95 -73.86 -5.68 42.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.851 0.358 . . . . 0.0 110.57 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -60.89 -42.43 97.99 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.586 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -54.39 -32.26 51.94 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 161' ' ' LEU . . . . . 0.578 ' O ' HD23 ' A' ' 161' ' ' LEU . 2.1 tt -62.86 -54.05 44.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.878 0.37 . . . . 0.0 110.597 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 58.6 tp -66.99 -31.23 71.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.545 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 5.3 t -66.65 -26.51 67.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.54 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 93.5 t80 -76.25 -42.82 44.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.55 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -71.66 47.95 0.14 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.542 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -130.69 38.79 1.89 Allowed Glycine 0 CA--C 1.526 0.74 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 167' ' ' THR . . . . . 1.093 ' OG1' ' HD2' ' A' ' 168' ' ' PRO . 0.6 OUTLIER -108.28 -178.84 0.61 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 120.846 0.355 . . . . 0.0 110.609 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 168' ' ' PRO . . . . . 1.093 ' HD2' ' OG1' ' A' ' 167' ' ' THR . 56.9 Cg_endo -74.83 -146.77 0.03 OUTLIER 'Trans proline' 0 C--N 1.304 -1.782 0 C-N-CA 122.875 2.384 . . . . 0.0 112.227 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 169' ' ' THR . . . . . 0.601 ' C ' ' O ' ' A' ' 168' ' ' PRO . 29.3 p -21.64 100.31 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.546 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 170' ' ' TRP . . . . . 0.687 ' O ' HG22 ' A' ' 173' ' ' VAL . 34.0 p90 -64.14 -18.58 64.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.566 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 171' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.35 -13.97 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.571 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 172' ' ' THR . . . . . 0.514 ' O ' HG22 ' A' ' 175' ' ' ILE . 5.0 m -87.14 -29.56 21.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.507 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 173' ' ' VAL . . . . . 0.687 HG22 ' O ' ' A' ' 170' ' ' TRP . 2.0 m -71.96 -45.73 62.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.593 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 174' ' ' THR . . . . . 0.566 ' N ' ' CG2' ' A' ' 173' ' ' VAL . 24.9 m -64.51 -24.94 67.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.55 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 175' ' ' ILE . . . . . 0.514 HG22 ' O ' ' A' ' 172' ' ' THR . 1.7 tt -85.81 -7.5 10.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.585 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 176' ' ' PHE . . . . . 0.483 ' O ' HG12 ' A' ' 180' ' ' VAL . 63.9 t80 -94.67 -60.07 1.79 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.548 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 3.2 m -62.09 -16.66 16.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.59 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 178' ' ' ALA . . . . . 0.624 ' O ' ' OG1' ' A' ' 182' ' ' THR . . . -95.57 -45.87 6.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.516 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -62.4 -26.15 67.71 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 180' ' ' VAL . . . . . 0.698 HG13 ' N ' ' A' ' 181' ' ' LEU . 13.7 p -86.25 -51.71 12.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.796 0.331 . . . . 0.0 110.574 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 181' ' ' LEU . . . . . 0.698 ' N ' HG13 ' A' ' 180' ' ' VAL . 41.1 tp -69.21 -48.08 63.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.595 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 182' ' ' THR . . . . . 0.624 ' OG1' ' O ' ' A' ' 178' ' ' ALA . 25.8 m -50.5 -51.32 48.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.588 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -47.4 -45.66 25.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.587 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 184' ' ' SER . . . . . . . . . . . . . 27.7 t -54.57 -37.87 65.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.526 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 61.5 mt -77.64 -21.65 51.91 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.586 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 21.0 m -73.28 -44.86 58.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.548 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 187' ' ' ILE . . . . . 0.638 HG23 ' N ' ' A' ' 188' ' ' TRP . 12.4 tt -73.71 -51.52 24.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.636 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 188' ' ' TRP . . . . . 0.638 ' N ' HG23 ' A' ' 187' ' ' ILE . 0.1 OUTLIER -30.81 -56.82 0.22 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.642 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 8.0 mmtt -175.83 128.18 0.24 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.589 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 190' ' ' LYS . . . . . . . . . . . . . 13.1 ptpt -109.77 89.53 3.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.597 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 191' ' ' MET . . . . . . . . . . . . . 83.1 mtp -128.6 136.54 50.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.527 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.779 0 CA-C-O 117.983 -1.454 . . . . 0.0 110.985 179.943 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 130' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 131' ' ' GLU . . . . . 0.976 ' OE2' ' HE1' ' A' ' 74' ' ' MET . 90.6 mt-10 -57.78 -56.52 20.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.533 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 132' ' ' ALA . . . . . 0.581 ' O ' ' N ' ' B' ' 134' ' ' LYS . . . -156.35 -90.18 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.565 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 133' ' ' LEU . . . . . 0.696 HD12 ' N ' ' B' ' 133' ' ' LEU . 6.9 mp 51.21 -82.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.487 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 134' ' ' LYS . . . . . 0.581 ' N ' ' O ' ' B' ' 132' ' ' ALA . 36.6 ttmt -55.37 -49.25 72.79 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.486 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 135' ' ' LYS . . . . . 0.532 ' NZ ' ' O ' ' B' ' 131' ' ' GLU . 22.5 pttp -96.49 152.92 18.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.571 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 136' ' ' ALA . . . . . 0.428 ' C ' HD12 ' B' ' 137' ' ' LEU . . . -147.99 -146.2 0.19 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.478 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 137' ' ' LEU . . . . . 0.613 HD12 ' N ' ' B' ' 137' ' ' LEU . 9.5 mp -96.14 125.04 40.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.55 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 138' ' ' ARG . . . . . 0.565 ' O ' ' HB2' ' B' ' 142' ' ' PHE . 84.3 mtp180 -85.81 -13.57 47.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.587 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 139' ' ' ARG . . . . . 0.463 ' O ' ' HB2' ' B' ' 143' ' ' LEU . 80.0 mtp180 -61.79 -41.66 98.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.514 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 140' ' ' HIS . . . . . 0.756 ' O ' ' N ' ' B' ' 143' ' ' LEU . 63.7 t-80 -82.07 -67.9 0.74 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.453 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 141' ' ' ARG . . . . . 0.465 ' C ' ' O ' ' B' ' 140' ' ' HIS . 70.7 ttt180 -33.4 -29.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.337 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 142' ' ' PHE . . . . . 0.62 ' N ' ' O ' ' B' ' 140' ' ' HIS . 14.0 m-85 -94.74 -27.59 15.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.419 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 143' ' ' LEU . . . . . 0.868 ' O ' HD23 ' B' ' 143' ' ' LEU . 2.1 tt -62.58 -30.39 71.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.485 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 144' ' ' TRP . . . . . 0.428 ' O ' ' C ' ' B' ' 145' ' ' GLN . 65.9 t-105 -91.05 -52.5 4.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.567 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 145' ' ' GLN . . . . . 0.549 ' O ' ' O ' ' B' ' 146' ' ' ARG . 50.0 tt0 -36.45 -67.71 0.16 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.551 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 146' ' ' ARG . . . . . 0.549 ' O ' ' O ' ' B' ' 145' ' ' GLN . 89.4 mtm180 35.02 -160.25 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.572 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 147' ' ' ARG . . . . . . . . . . . . . 12.9 tpp180 -73.46 132.51 43.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.605 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 148' ' ' GLN . . . . . . . . . . . . . 87.4 mt-30 -50.67 141.95 11.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.527 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 149' ' ' ARG . . . . . 0.417 ' O ' ' O ' ' B' ' 150' ' ' ALA . 70.4 ttt180 52.22 74.98 0.24 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.633 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 150' ' ' ALA . . . . . 0.417 ' O ' ' O ' ' B' ' 149' ' ' ARG . . . . . . . . 0 C--O 1.221 -0.442 0 CA-C-O 118.004 -0.998 . . . . 0.0 110.586 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.3 ptt? . . . . . 0 N--CA 1.491 1.575 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 1.075 ' OD1' ' N ' ' A' ' 3' ' ' GLY . 51.7 p30 -53.19 -61.99 1.94 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.506 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 1.075 ' N ' ' OD1' ' A' ' 2' ' ' ASP . . . 95.1 -46.49 2.03 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 14.9 m -157.76 -40.11 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.83 0.348 . . . . 0.0 110.582 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -166.27 -130.05 1.11 Allowed Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.921 ' O ' ' HB3' ' A' ' 7' ' ' GLN . 4.4 tp10 -141.34 107.97 5.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.794 0.331 . . . . 0.0 110.674 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.921 ' HB3' ' O ' ' A' ' 6' ' ' GLU . 6.5 tp-100 102.23 50.55 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.606 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.935 ' O ' ' O ' ' A' ' 9' ' ' ARG . 60.6 Cg_exo -46.07 131.22 14.01 Favored 'Trans proline' 0 C--N 1.306 -1.676 0 C-N-CA 122.849 2.366 . . . . 0.0 112.144 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.935 ' O ' ' O ' ' A' ' 8' ' ' PRO . 19.1 mtp180 12.59 124.83 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.549 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.468 ' O ' ' C ' ' A' ' 11' ' ' GLY . . . -147.04 7.84 1.22 Allowed Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.468 ' C ' ' O ' ' A' ' 10' ' ' GLY . . . 33.55 44.05 0.28 Allowed Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -152.14 -72.74 0.01 OUTLIER Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.955 ' O ' ' N ' ' A' ' 15' ' ' SER . 54.3 Cg_exo -47.52 -50.15 11.94 Favored 'Trans proline' 0 C--N 1.304 -1.773 0 C-N-CA 122.825 2.35 . . . . 0.0 112.064 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.602 ' O ' ' C ' ' A' ' 15' ' ' SER . 35.7 p -47.42 21.87 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.584 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.955 ' N ' ' O ' ' A' ' 13' ' ' PRO . 1.7 p 20.01 75.89 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.697 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 29.4 m -95.18 -18.59 20.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.541 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -92.78 -49.08 6.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.59 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -56.58 -33.65 66.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.64 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.902 HD12 ' O ' ' A' ' 15' ' ' SER . 64.8 mt -73.95 -50.35 29.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.602 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 48.4 ttp -58.06 -36.21 72.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.655 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.421 ' O ' HD23 ' A' ' 25' ' ' LEU . 96.6 mttt -68.17 -43.67 77.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.667 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 66.8 m -72.82 -14.26 61.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.611 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -74.2 -54.23 6.4 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.685 ' O ' ' CG ' ' A' ' 28' ' ' GLN . . . -77.17 -10.83 59.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.747 0.308 . . . . 0.0 110.571 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.533 ' O ' ' C ' ' A' ' 26' ' ' LEU . 1.9 mm? -86.22 -78.63 0.27 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.572 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.533 ' C ' ' O ' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -28.96 -64.59 0.1 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.534 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.406 ' O ' HG13 ' A' ' 31' ' ' ILE . 57.0 mt -52.33 -56.89 11.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.586 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.846 ' NE2' HD11 ' A' ' 45' ' ' LEU . 64.2 mm-40 -48.43 -18.12 0.21 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.602 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.532 ' O ' ' N ' ' A' ' 31' ' ' ILE . . . -88.47 -72.47 1.28 Allowed Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 43.4 t80 -42.39 -18.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.805 0.336 . . . . 0.0 110.574 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.532 ' N ' ' O ' ' A' ' 29' ' ' GLY . 90.2 mt -76.97 -69.03 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.564 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.542 ' CG ' ' O ' ' A' ' 32' ' ' GLN . 4.9 tt0 -78.99 29.86 0.21 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.519 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.412 ' H ' ' C ' ' A' ' 31' ' ' ILE . 65.9 t0 -112.85 -51.05 2.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.561 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.4 ' NH2' ' OD2' ' A' ' 71' ' ' ASP . 15.9 ptm180 -91.23 -26.97 18.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.602 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.471 ' CB ' HD22 ' A' ' 122' ' ' LEU . . . -99.25 -12.77 20.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.56 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.427 ' O ' ' O ' ' A' ' 39' ' ' GLY . . . -63.75 -34.67 90.56 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 74.3 ttt180 -55.61 -23.25 26.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.729 0.299 . . . . 0.0 110.484 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 7.4 tpp -60.44 -41.14 93.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.562 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.427 ' O ' ' O ' ' A' ' 36' ' ' GLY . . . -162.68 168.39 37.54 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -147.52 -13.61 0.15 Allowed Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.964 -0.855 . . . . 0.0 110.964 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -88.26 3.72 48.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.87 0.367 . . . . 0.0 110.648 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.578 ' N ' ' HD3' ' A' ' 43' ' ' PRO . . . -148.54 55.35 2.07 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.552 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.578 ' HD3' ' N ' ' A' ' 42' ' ' ALA . 46.0 Cg_exo -51.83 110.84 0.48 Allowed 'Trans proline' 0 C--N 1.304 -1.807 0 C-N-CA 122.822 2.348 . . . . 0.0 112.06 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.503 ' CD ' ' O ' ' A' ' 42' ' ' ALA . 57.2 mp0 -90.11 -12.99 36.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.579 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.846 HD11 ' NE2' ' A' ' 28' ' ' GLN . 32.0 tp -100.88 68.94 1.31 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.554 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.486 ' O ' ' CD1' ' A' ' 47' ' ' LEU . . . -77.57 140.56 39.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.608 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.486 ' CD1' ' O ' ' A' ' 46' ' ' ALA . 0.8 OUTLIER 170.14 -5.09 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.571 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.628 ' N ' ' HD3' ' A' ' 49' ' ' PRO . 56.1 m-20 58.43 52.69 4.83 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.591 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.628 ' HD3' ' N ' ' A' ' 48' ' ' ASP . 34.2 Cg_exo -53.37 -81.78 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.744 0 C-N-CA 122.781 2.321 . . . . 0.0 112.079 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.461 ' C ' ' O ' ' A' ' 49' ' ' PRO . 2.4 t 34.48 71.89 0.75 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.594 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -68.25 110.76 2.31 Favored 'Trans proline' 0 C--N 1.305 -1.724 0 C-N-CA 122.761 2.307 . . . . 0.0 112.079 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 63.8 mt-30 -63.3 -47.54 81.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.582 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -71.6 140.62 49.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.518 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -84.07 -2.84 57.46 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.618 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 10.4 t -56.74 -39.42 73.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.548 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 79.4 p -81.04 -33.84 33.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.603 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 30.0 ttpt -50.63 -54.71 20.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.538 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 30.3 ttpt -60.04 -47.56 85.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.661 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.5 mt -62.1 -26.44 68.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.541 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.7 t -71.16 -35.49 71.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.571 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 76.6 mt-10 -63.65 -31.91 73.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.539 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 94.5 m -64.24 -37.83 88.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.591 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.463 ' N ' HD12 ' A' ' 63' ' ' LEU . 10.9 mp -75.23 -24.65 57.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.598 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -84.29 -36.65 22.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.503 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.441 ' O ' ' OE2' ' A' ' 69' ' ' GLU . 99.7 mtt180 -68.59 -44.42 74.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.575 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 19.0 tt -76.5 -35.04 25.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.599 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.426 ' O ' ' CB ' ' A' ' 71' ' ' ASP . . . -61.01 -45.42 96.65 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 44.0 t0 -62.7 -34.35 76.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.85 0.357 . . . . 0.0 110.61 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.526 ' OE1' ' N ' ' A' ' 69' ' ' GLU . 0.3 OUTLIER -79.53 -58.57 3.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.563 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 2.2 mt -55.18 -43.06 74.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.55 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.426 ' CB ' ' O ' ' A' ' 67' ' ' GLY . 52.8 t0 -65.09 -8.72 17.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.602 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.5 t -96.33 7.0 47.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.62 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -92.95 111.51 23.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.535 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 51.8 ttp -68.34 -11.13 59.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.552 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -80.39 -67.33 0.78 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.571 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 56.0 tp -59.79 -40.2 87.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.642 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 45.0 tt0 -61.83 -37.93 86.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.592 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 75.8 ttt180 -68.5 -44.86 73.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.65 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.422 ' SD ' HG23 ' A' ' 182' ' ' THR . 54.8 mtt -54.56 -43.84 72.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.624 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.644 ' O ' HG12 ' A' ' 83' ' ' VAL . 82.5 mt -62.4 -23.8 33.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.573 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -85.89 -18.73 31.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.584 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -86.56 -15.19 40.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.6 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.872 ' O ' HG13 ' A' ' 83' ' ' VAL . 7.7 p -89.65 82.82 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.563 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 50.3 p-10 -41.54 161.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.546 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 79.4 m -118.72 121.95 41.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.598 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -150.7 0.27 0.41 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.46 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.648 ' O ' HG12 ' A' ' 91' ' ' VAL . 43.5 t -175.77 85.03 0.29 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.51 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.515 ' O ' ' CB ' ' A' ' 92' ' ' PHE . 28.6 Cg_endo -65.68 -17.13 56.02 Favored 'Trans proline' 0 C--N 1.305 -1.753 0 C-N-CA 122.781 2.321 . . . . 0.0 112.069 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 17.3 ptt-85 -84.63 -35.74 22.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.465 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -77.16 -58.61 3.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.52 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.665 HG13 ' N ' ' A' ' 92' ' ' PHE . 9.8 p -56.47 -51.94 58.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.553 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.665 ' N ' HG13 ' A' ' 91' ' ' VAL . 84.8 t80 -45.38 -52.95 9.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.479 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -67.19 -30.76 70.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.538 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 15.7 tpp180 -71.16 -58.27 3.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.482 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.627 HG23 ' N ' ' A' ' 96' ' ' ALA . 28.4 m -59.13 -48.23 87.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.553 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.627 ' N ' HG23 ' A' ' 95' ' ' VAL . . . -54.87 -27.75 45.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.542 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -81.82 -38.99 24.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.555 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 99' ' ' MET . 99.7 m-20 -63.02 -38.81 92.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.558 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' MET . . . . . 0.539 ' HB2' HH21 ' A' ' 109' ' ' ARG . 64.6 mtt -38.29 -68.92 0.14 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.548 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.608 ' CD2' ' O ' ' A' ' 100' ' ' PHE . 17.2 p90 -111.24 57.64 0.62 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.498 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.3 t -74.79 -26.77 59.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.571 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.535 ' O ' ' C ' ' A' ' 103' ' ' GLY . 55.2 p-10 -155.63 -18.38 0.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.605 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.535 ' C ' ' O ' ' A' ' 102' ' ' ASP . . . -26.27 -80.75 0.01 OUTLIER Glycine 0 CA--C 1.524 0.594 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ASN . . . . . 0.609 ' O ' ' CG ' ' A' ' 105' ' ' PHE . 9.1 m-20 174.57 34.31 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.725 0.298 . . . . 0.0 110.491 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.609 ' CG ' ' O ' ' A' ' 104' ' ' ASN . 31.0 p90 42.72 29.17 0.15 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.56 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.523 ' O ' ' HB2' ' A' ' 107' ' ' TRP . 26.9 p30 -52.2 -110.33 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.604 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' TRP . . . . . 0.529 ' HE1' HD12 ' A' ' 148' ' ' LEU . 6.3 t90 174.47 -26.11 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.617 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.598 ' O ' HG12 ' A' ' 111' ' ' VAL . . . -50.2 -42.07 40.16 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.539 HH21 ' HB2' ' A' ' 99' ' ' MET . 0.0 OUTLIER -48.18 -25.99 1.72 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.818 0.342 . . . . 0.0 110.575 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.529 HG21 ' NE1' ' A' ' 107' ' ' TRP . 37.2 t -52.69 -57.83 3.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.57 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.598 HG12 ' O ' ' A' ' 108' ' ' GLY . 4.9 p -45.27 -46.82 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.527 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.583 ' N ' HG13 ' A' ' 111' ' ' VAL . . . -58.04 -35.05 70.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.602 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.668 ' O ' HD23 ' A' ' 113' ' ' LEU . 2.0 tt -56.89 -46.73 81.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.539 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.446 ' CZ ' ' CG1' ' A' ' 110' ' ' VAL . 10.0 m-85 -57.29 -43.93 83.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.544 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 92.0 t80 -68.23 -43.4 78.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.448 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.456 ' CE2' HG21 ' A' ' 95' ' ' VAL . 93.0 t80 -59.19 -41.87 89.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.552 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.506 ' O ' HG23 ' A' ' 121' ' ' VAL . . . -71.08 -32.47 69.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.549 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 5.0 t -48.59 -44.16 36.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.516 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.817 ' O ' ' CB ' ' A' ' 123' ' ' LYS . 58.7 mmtt -60.13 -43.69 95.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.504 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 52.5 mt -68.03 -30.96 70.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.531 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.704 HG13 HG23 ' A' ' 133' ' ' ILE . 58.5 t -77.39 -53.59 14.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.542 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.471 HD22 ' CB ' ' A' ' 35' ' ' ALA . 69.7 mt -72.74 -40.92 65.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.587 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.817 ' CB ' ' O ' ' A' ' 119' ' ' LYS . 88.8 tttt -58.08 -41.01 82.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.548 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.514 ' O ' ' OG1' ' A' ' 127' ' ' THR . . . -75.85 -21.57 57.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.488 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.406 HD12 ' HA ' ' A' ' 125' ' ' LEU . 43.1 tp -63.52 -31.84 73.12 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.593 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 5.7 t -83.65 -35.32 24.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.549 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.739 ' O ' ' HB2' ' A' ' 128' ' ' LYS . 35.5 p -54.07 -19.59 5.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.497 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.739 ' HB2' ' O ' ' A' ' 127' ' ' THR . 77.9 mttt 87.57 46.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.56 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.491 ' CG2' ' OG1' ' A' ' 127' ' ' THR . 0.2 OUTLIER -148.9 85.97 5.86 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.543 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 130' ' ' PRO . . . . . 0.408 ' HA ' HG12 ' A' ' 133' ' ' ILE . 34.4 Cg_endo -67.66 -15.84 45.41 Favored 'Trans proline' 0 C--N 1.305 -1.761 0 C-N-CA 122.762 2.308 . . . . 0.0 112.037 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 46.7 tt0 -62.96 -42.71 99.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.469 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 8.6 mp -59.51 -34.41 72.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.502 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.704 HG23 HG13 ' A' ' 121' ' ' VAL . 22.2 mm -56.65 -50.35 74.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.548 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 134' ' ' ARG . . . . . 0.429 HH21 ' H ' ' A' ' 46' ' ' ALA . 2.1 mpt_? -69.04 -34.84 75.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.464 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 8.9 m -67.07 -31.96 72.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.517 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.422 HG21 ' CG2' ' A' ' 121' ' ' VAL . 44.7 mt -69.72 -58.99 4.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.558 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 5.2 ptm -46.3 -25.52 0.64 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.542 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -68.57 -40.51 86.07 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 139' ' ' TRP . . . . . 0.503 ' CD1' ' N ' ' A' ' 139' ' ' TRP . 13.4 m0 -66.44 -24.31 66.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.833 0.349 . . . . 0.0 110.578 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 140' ' ' THR . . . . . 0.478 ' OG1' ' N ' ' A' ' 141' ' ' LEU . 20.7 p -75.59 -65.75 0.86 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.513 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.478 ' N ' ' OG1' ' A' ' 140' ' ' THR . 53.0 mt -51.89 -33.62 37.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.508 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -65.64 -51.14 61.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.568 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 143' ' ' PHE . . . . . 0.437 ' O ' ' HB2' ' A' ' 147' ' ' ARG . 5.4 t80 -66.8 -38.89 87.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.53 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.562 HD12 ' HB2' ' A' ' 148' ' ' LEU . 1.8 tp -71.02 -35.58 72.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.563 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 58.9 ttp180 -82.96 -10.76 58.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.559 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -111.97 -4.64 14.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.589 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 147' ' ' ARG . . . . . 1.153 ' O ' ' N ' ' A' ' 149' ' ' LEU . 11.0 mtp180 -142.18 -110.91 0.13 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.536 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 148' ' ' LEU . . . . . 0.812 ' H ' HD22 ' A' ' 148' ' ' LEU . 1.0 OUTLIER -15.27 -27.81 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.598 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 149' ' ' LEU . . . . . 1.153 ' N ' ' O ' ' A' ' 147' ' ' ARG . 60.7 tp -49.14 -56.32 9.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.554 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -63.9 -50.63 59.67 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 151' ' ' TRP . . . . . . . . . . . . . 99.0 m95 -66.23 -55.84 14.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.825 0.345 . . . . 0.0 110.541 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 152' ' ' ILE . . . . . 0.697 ' N ' ' O ' ' A' ' 148' ' ' LEU . 10.8 tt -51.37 -34.3 15.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.572 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 55.5 mt-30 -67.38 -31.39 71.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.56 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -89.0 -4.43 58.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.521 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -97.61 0.79 47.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.555 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 83.65 24.57 49.61 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 89.91 -160.33 28.55 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 158' ' ' TRP . . . . . 0.482 ' CD1' HD11 ' A' ' 152' ' ' ILE . 34.1 m95 -74.01 -5.56 42.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.803 0.335 . . . . 0.0 110.587 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 65.1 t0 -61.03 -42.32 98.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.588 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -54.56 -32.04 52.94 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 161' ' ' LEU . . . . . 0.583 ' O ' HD23 ' A' ' 161' ' ' LEU . 2.0 tt -63.07 -53.92 46.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.872 0.368 . . . . 0.0 110.565 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 56.9 tp -67.26 -30.86 70.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.592 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 22.0 t -67.11 -25.73 66.35 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.586 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 93.2 t80 -77.24 -42.39 37.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.574 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -71.6 48.27 0.14 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.584 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -131.57 39.58 1.75 Allowed Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 167' ' ' THR . . . . . 0.943 ' OG1' ' HD2' ' A' ' 168' ' ' PRO . 0.6 OUTLIER -108.98 177.55 1.23 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 120.867 0.365 . . . . 0.0 110.577 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 168' ' ' PRO . . . . . 0.943 ' HD2' ' OG1' ' A' ' 167' ' ' THR . 38.1 Cg_endo -69.64 -145.15 0.02 OUTLIER 'Trans proline' 0 C--N 1.304 -1.774 0 C-N-CA 122.808 2.339 . . . . 0.0 112.064 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 169' ' ' THR . . . . . 0.578 ' C ' ' O ' ' A' ' 168' ' ' PRO . 20.6 p -24.73 103.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.551 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 170' ' ' TRP . . . . . 0.68 ' O ' HG22 ' A' ' 173' ' ' VAL . 31.1 p90 -66.08 -18.61 65.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.571 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 171' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.0 -14.29 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.479 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 172' ' ' THR . . . . . 0.516 ' O ' HG22 ' A' ' 175' ' ' ILE . 5.0 m -86.85 -29.48 22.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.58 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 173' ' ' VAL . . . . . 0.68 HG22 ' O ' ' A' ' 170' ' ' TRP . 2.0 m -72.17 -45.56 61.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.619 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 174' ' ' THR . . . . . 0.567 ' N ' ' CG2' ' A' ' 173' ' ' VAL . 24.9 m -64.63 -24.97 67.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.557 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 175' ' ' ILE . . . . . 0.516 HG22 ' O ' ' A' ' 172' ' ' THR . 1.7 tt -85.72 -7.41 10.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.613 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 176' ' ' PHE . . . . . 0.484 ' O ' HG12 ' A' ' 180' ' ' VAL . 63.8 t80 -94.71 -60.09 1.78 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.497 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 3.1 m -62.13 -16.62 16.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.595 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 178' ' ' ALA . . . . . 0.618 ' O ' ' OG1' ' A' ' 182' ' ' THR . . . -95.57 -45.92 6.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.575 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -62.31 -26.18 67.56 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 180' ' ' VAL . . . . . 0.699 HG13 ' N ' ' A' ' 181' ' ' LEU . 13.6 p -86.23 -51.78 12.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.837 0.351 . . . . 0.0 110.586 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 181' ' ' LEU . . . . . 0.699 ' N ' HG13 ' A' ' 180' ' ' VAL . 42.0 tp -69.23 -47.98 63.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.614 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 182' ' ' THR . . . . . 0.618 ' OG1' ' O ' ' A' ' 178' ' ' ALA . 26.5 m -50.54 -51.41 48.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.552 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -47.33 -45.61 24.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.622 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 184' ' ' SER . . . . . . . . . . . . . 27.8 t -54.53 -37.85 65.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.552 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 58.4 mt -77.7 -21.72 51.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.517 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 20.5 m -73.22 -44.79 59.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.635 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 187' ' ' ILE . . . . . 0.635 HG23 ' N ' ' A' ' 188' ' ' TRP . 12.2 tt -73.72 -51.67 23.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.556 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 188' ' ' TRP . . . . . 0.635 ' N ' HG23 ' A' ' 187' ' ' ILE . 0.2 OUTLIER -30.66 -56.98 0.21 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.59 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 8.1 mmtt -175.78 128.25 0.24 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.559 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 190' ' ' LYS . . . . . . . . . . . . . 36.4 pttt -109.91 89.53 3.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.561 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 191' ' ' MET . . . . . . . . . . . . . 82.8 mtp -128.56 136.57 50.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.518 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.819 0 CA-C-O 118.036 -1.424 . . . . 0.0 110.888 179.962 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 130' ' ' CYS . . . . . 0.753 ' SG ' ' HG3' ' B' ' 131' ' ' GLU . 0.5 OUTLIER . . . . . 0 N--CA 1.491 1.602 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 131' ' ' GLU . . . . . 0.753 ' HG3' ' SG ' ' B' ' 130' ' ' CYS . 84.1 mt-10 -131.66 166.01 22.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.543 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 132' ' ' ALA . . . . . 0.594 ' O ' ' O ' ' B' ' 131' ' ' GLU . . . 51.83 120.86 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.532 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 133' ' ' LEU . . . . . 0.656 HD12 ' N ' ' B' ' 133' ' ' LEU . 8.8 mp -92.95 -5.46 50.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.59 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 134' ' ' LYS . . . . . . . . . . . . . 68.6 mttm 48.83 24.32 0.81 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.626 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 135' ' ' LYS . . . . . . . . . . . . . 61.1 tttm -161.67 75.12 0.47 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.526 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 136' ' ' ALA . . . . . . . . . . . . . . . -172.45 9.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.55 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 76.2 mt -84.47 -81.08 0.19 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.566 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 138' ' ' ARG . . . . . . . . . . . . . 10.5 ptp85 -73.63 -24.64 60.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.542 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 139' ' ' ARG . . . . . . . . . . . . . 75.7 ttt-85 -61.81 -43.12 99.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.581 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 140' ' ' HIS . . . . . 0.649 ' O ' ' N ' ' B' ' 143' ' ' LEU . 0.1 OUTLIER -79.56 -64.91 1.08 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.531 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 141' ' ' ARG . . . . . 0.508 ' N ' ' CG ' ' B' ' 140' ' ' HIS . 58.3 ttp180 -34.24 -32.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.511 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 142' ' ' PHE . . . . . 0.536 ' N ' ' O ' ' B' ' 140' ' ' HIS . 69.1 t80 -90.6 -33.06 16.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.559 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 143' ' ' LEU . . . . . 0.649 ' N ' ' O ' ' B' ' 140' ' ' HIS . 39.5 tp -54.78 -36.12 64.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.568 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 144' ' ' TRP . . . . . 0.501 ' O ' ' C ' ' B' ' 145' ' ' GLN . 45.3 t90 -84.36 -58.71 2.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.542 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 145' ' ' GLN . . . . . 0.586 ' O ' ' N ' ' B' ' 147' ' ' ARG . 57.0 tt0 -31.68 -68.85 0.08 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.614 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 146' ' ' ARG . . . . . . . . . . . . . 60.3 ttm-85 51.91 -81.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.57 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 147' ' ' ARG . . . . . 0.586 ' N ' ' O ' ' B' ' 145' ' ' GLN . 68.5 ttt180 -138.24 137.3 37.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.581 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 148' ' ' GLN . . . . . 0.472 ' H ' ' NE2' ' B' ' 148' ' ' GLN . 3.8 mp0 -71.82 134.32 46.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.589 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 51.49 76.38 0.17 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.594 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 150' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.49 0 CA-C-O 118.0 -1.0 . . . . 0.0 110.565 -179.999 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.775 ' O ' HD12 ' A' ' 19' ' ' ILE . 94.2 p . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.815 0.341 . . . . 0.0 110.646 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.3 m -97.82 -17.22 19.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.591 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.44 ' HA ' ' OE1' ' A' ' 17' ' ' GLU . 47.1 mm-40 -63.73 -52.35 60.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.593 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.54 ' CD ' ' O ' ' A' ' 18' ' ' GLN . 3.4 tm0? -70.23 -20.45 63.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.565 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.775 HD12 ' O ' ' A' ' 15' ' ' SER . 87.2 mt -84.29 -56.08 6.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.541 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 46.4 ttp -52.19 -37.27 54.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.571 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.402 ' O ' HD23 ' A' ' 25' ' ' LEU . 40.7 tptt -66.51 -46.89 74.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.517 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.47 HG22 ' O ' ' A' ' 22' ' ' THR . 47.7 m -71.86 -7.09 46.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.517 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -80.18 -54.1 3.93 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.71 -8.71 58.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.809 0.338 . . . . 0.0 110.517 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.552 ' O ' ' C ' ' A' ' 26' ' ' LEU . 2.1 mm? -86.99 -81.03 0.23 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.566 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.552 ' C ' ' O ' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -26.57 -65.88 0.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.587 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.421 ' C ' ' N ' ' A' ' 29' ' ' GLY . 4.6 tp -51.15 -57.96 7.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.559 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.42 ' HA ' HD12 ' A' ' 31' ' ' ILE . 7.4 tp-100 -47.28 -18.04 0.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.54 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.542 ' O ' ' N ' ' A' ' 31' ' ' ILE . . . -88.68 -72.77 1.28 Allowed Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.961 -0.855 . . . . 0.0 110.961 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 42.0 t80 -42.15 -18.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.77 0.319 . . . . 0.0 110.544 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.542 ' N ' ' O ' ' A' ' 29' ' ' GLY . 84.7 mt -76.97 -69.26 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.605 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.609 ' NE2' ' HB2' ' A' ' 43' ' ' PRO . 33.5 tt0 -78.85 30.16 0.2 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.564 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.415 ' H ' ' C ' ' A' ' 31' ' ' ILE . 67.0 t0 -113.17 -50.92 2.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.536 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 -91.38 -26.92 18.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.534 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.471 ' CB ' HD22 ' A' ' 122' ' ' LEU . . . -99.31 -12.66 20.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.575 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.658 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 -179.976 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.609 ' HB2' ' NE2' ' A' ' 32' ' ' GLN . 35.1 Cg_endo . . . . . 0 N--CA 1.493 1.464 0 CA-C-O 120.856 0.273 . . . . 0.0 112.048 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -75.67 -15.13 60.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.65 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.863 ' N ' HD22 ' A' ' 45' ' ' LEU . 0.5 OUTLIER -93.6 64.28 3.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.609 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -83.49 131.79 34.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.579 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.583 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.453 ' O ' ' OD1' ' A' ' 53' ' ' ASP . 50.7 p-10 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.816 0.341 . . . . 0.0 110.609 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -83.84 -2.31 56.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.576 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 13.9 t -58.07 -39.78 79.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.546 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 77.0 p -81.83 -33.83 30.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.572 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 31.5 tptt -50.43 -54.76 19.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.566 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 30.6 ttpt -59.9 -47.74 84.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.576 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.64 HD23 ' O ' ' A' ' 59' ' ' LEU . 0.9 OUTLIER -61.98 -26.33 68.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.541 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.5 t -71.37 -35.35 71.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.579 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -63.81 -31.74 73.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.582 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 93.3 m -64.28 -37.8 88.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.556 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.461 HD12 ' N ' ' A' ' 63' ' ' LEU . 10.0 mp -75.36 -24.65 57.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.525 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.9 ttpm? -84.28 -36.63 22.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.58 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.441 ' O ' ' OE2' ' A' ' 69' ' ' GLU . 99.7 mtt180 -68.53 -44.43 74.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.573 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 19.1 tt -76.52 -35.02 25.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.571 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.426 ' O ' ' CB ' ' A' ' 71' ' ' ASP . . . -61.08 -45.36 96.73 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 57.5 t0 -62.76 -34.32 76.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.806 0.336 . . . . 0.0 110.56 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.536 ' N ' ' OE1' ' A' ' 69' ' ' GLU . 0.3 OUTLIER -79.64 -58.54 3.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.54 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.447 ' O ' ' OE1' ' A' ' 77' ' ' GLN . 2.3 mt -55.07 -43.13 73.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.596 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.426 ' CB ' ' O ' ' A' ' 67' ' ' GLY . 54.3 t0 -65.03 -8.79 17.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.539 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.2 t -96.4 7.09 47.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.578 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.448 ' O ' ' OE1' ' A' ' 77' ' ' GLN . 7.7 m120 -93.0 111.46 23.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.578 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 95.8 mmm -68.27 -11.23 59.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.571 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -80.4 -67.19 0.79 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.581 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 54.8 tp -59.88 -40.26 88.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.576 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.448 ' OE1' ' O ' ' A' ' 73' ' ' ASN . 1.2 mp0 -61.75 -37.92 86.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.604 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 75.1 ttt180 -68.54 -44.87 73.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.591 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.488 ' SD ' HG23 ' A' ' 182' ' ' THR . 74.2 mtp -54.57 -43.86 72.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.593 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.644 ' O ' HG12 ' A' ' 83' ' ' VAL . 86.1 mt -62.37 -23.8 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.552 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -85.96 -18.65 32.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.596 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -86.66 -15.11 40.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.604 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.875 HG13 ' O ' ' A' ' 83' ' ' VAL . 7.7 p -89.69 82.58 2.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.604 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 55.3 p-10 -41.06 161.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.516 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 86.9 m -118.94 121.18 39.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.657 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -149.82 0.15 0.47 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.49 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.657 ' O ' HG12 ' A' ' 91' ' ' VAL . 47.4 t -175.94 86.31 0.29 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.512 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.509 ' O ' ' CB ' ' A' ' 92' ' ' PHE . 31.6 Cg_endo -66.95 -16.51 49.87 Favored 'Trans proline' 0 C--N 1.305 -1.738 0 C-N-CA 122.779 2.319 . . . . 0.0 112.051 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 16.2 ptt-85 -85.15 -34.96 22.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.509 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -78.27 -58.11 3.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.505 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.66 HG13 ' N ' ' A' ' 92' ' ' PHE . 9.6 p -56.98 -51.54 67.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.526 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.66 ' N ' HG13 ' A' ' 91' ' ' VAL . 81.0 t80 -45.79 -52.54 11.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.489 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -67.49 -30.67 70.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.522 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 15.9 tpp180 -71.36 -58.11 3.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.492 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.624 HG23 ' N ' ' A' ' 96' ' ' ALA . 28.8 m -59.24 -48.1 88.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.556 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.624 ' N ' HG23 ' A' ' 95' ' ' VAL . . . -55.04 -27.69 46.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.542 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -81.9 -38.9 24.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.546 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 99' ' ' MET . 99.5 m-20 -63.14 -38.7 92.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.532 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . 0.531 ' HB2' HH21 ' A' ' 109' ' ' ARG . 64.0 mtt -38.35 -68.95 0.13 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.537 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.601 ' CD2' ' O ' ' A' ' 100' ' ' PHE . 15.8 p90 -111.18 57.6 0.62 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.564 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.3 t -74.74 -26.8 60.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.571 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . 0.535 ' O ' ' C ' ' A' ' 103' ' ' GLY . 54.6 p-10 -155.6 -18.3 0.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.536 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.535 ' C ' ' O ' ' A' ' 102' ' ' ASP . . . -26.37 -80.67 0.01 OUTLIER Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . 0.608 ' O ' ' CG ' ' A' ' 105' ' ' PHE . 28.1 t-20 174.5 34.42 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.804 0.335 . . . . 0.0 110.568 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.608 ' CG ' ' O ' ' A' ' 104' ' ' ASN . 32.0 p90 42.6 29.15 0.15 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.555 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.521 ' O ' ' HB2' ' A' ' 107' ' ' TRP . 28.5 p30 -52.2 -110.43 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.547 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' TRP . . . . . 0.543 ' NE1' HG21 ' A' ' 110' ' ' VAL . 6.7 t90 174.55 -26.15 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.561 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . 0.58 ' O ' HG12 ' A' ' 111' ' ' VAL . . . -50.18 -42.07 40.0 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . 0.531 HH21 ' HB2' ' A' ' 99' ' ' MET . 0.0 OUTLIER -48.14 -26.0 1.7 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.783 0.325 . . . . 0.0 110.582 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.543 HG21 ' NE1' ' A' ' 107' ' ' TRP . 36.6 t -52.68 -57.91 3.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.477 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.58 HG12 ' O ' ' A' ' 108' ' ' GLY . 4.5 p -45.24 -46.76 3.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.535 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.577 ' N ' HG13 ' A' ' 111' ' ' VAL . . . -58.12 -35.08 70.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.513 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.674 ' O ' HD23 ' A' ' 113' ' ' LEU . 2.2 tt -56.82 -46.76 81.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.541 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . 0.433 ' CZ ' ' CG1' ' A' ' 110' ' ' VAL . 10.3 m-85 -57.25 -44.02 83.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.546 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 92.0 t80 -68.05 -43.58 78.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.511 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.463 ' CE2' HG21 ' A' ' 95' ' ' VAL . 94.0 t80 -59.12 -41.85 89.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.535 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.497 ' O ' HG23 ' A' ' 121' ' ' VAL . . . -71.01 -32.49 69.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.551 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 5.1 t -48.65 -44.21 37.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.496 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.819 ' O ' ' CB ' ' A' ' 123' ' ' LYS . 56.4 mmtt -59.98 -43.63 94.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.536 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 51.1 mt -68.17 -30.9 70.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.557 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.722 HG13 HG23 ' A' ' 133' ' ' ILE . 60.4 t -77.4 -53.49 14.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.562 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.471 HD22 ' CB ' ' A' ' 35' ' ' ALA . 68.4 mt -73.13 -40.52 64.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.529 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.819 ' CB ' ' O ' ' A' ' 119' ' ' LYS . 89.1 tttt -58.37 -40.86 83.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.542 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.465 ' O ' ' OG1' ' A' ' 127' ' ' THR . . . -76.3 -20.54 57.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.574 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 35.6 tp -64.44 -30.55 71.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.568 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' CYS . . . . . 0.497 ' SG ' ' N ' ' A' ' 127' ' ' THR . 8.5 p -84.57 -35.78 22.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.569 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.559 ' O ' ' CB ' ' A' ' 128' ' ' LYS . 38.8 p -54.35 -17.04 2.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.586 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . 0.559 ' CB ' ' O ' ' A' ' 127' ' ' THR . 47.6 tttm 85.14 46.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.579 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . 0.529 ' CG2' ' OG1' ' A' ' 127' ' ' THR . 0.2 OUTLIER -148.37 86.91 5.79 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.57 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' PRO . . . . . 0.405 ' HA ' HG12 ' A' ' 133' ' ' ILE . 37.6 Cg_endo -69.22 -15.44 39.12 Favored 'Trans proline' 0 C--N 1.304 -1.77 0 C-N-CA 122.84 2.36 . . . . 0.0 112.066 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -63.57 -42.02 98.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.504 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 8.6 mp -60.09 -34.19 73.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.521 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.722 HG23 HG13 ' A' ' 121' ' ' VAL . 21.4 mm -56.91 -50.05 76.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.51 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 91.2 mtm-85 -69.28 -34.69 75.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.502 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 8.3 m -67.23 -32.01 72.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.494 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . 0.414 HG21 ' CG2' ' A' ' 121' ' ' VAL . 47.7 mt -69.68 -58.84 4.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.539 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 49.6 mtt -46.44 -25.58 0.69 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.523 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -68.56 -40.58 86.08 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' TRP . . . . . 0.51 ' CD1' ' N ' ' A' ' 139' ' ' TRP . 13.3 m0 -66.27 -24.52 66.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.804 0.335 . . . . 0.0 110.518 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' THR . . . . . 0.479 ' OG1' ' N ' ' A' ' 141' ' ' LEU . 20.1 p -75.5 -65.79 0.85 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.562 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . 0.479 ' N ' ' OG1' ' A' ' 140' ' ' THR . 4.1 tp -51.83 -33.59 36.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.527 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -65.8 -51.08 61.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.56 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . 0.451 ' O ' ' HB2' ' A' ' 147' ' ' ARG . 38.6 t80 -66.73 -38.9 87.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.604 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.569 HD12 ' HB2' ' A' ' 148' ' ' LEU . 1.7 tp -71.06 -35.52 71.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.562 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 59.8 ttp180 -83.03 -10.67 58.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.569 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -112.0 -4.55 14.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.607 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . 1.153 ' O ' ' N ' ' A' ' 149' ' ' LEU . 22.8 mmt180 -142.28 -110.85 0.13 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.555 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . 0.815 ' H ' HD22 ' A' ' 148' ' ' LEU . 1.0 OUTLIER -15.42 -27.72 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.57 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . 1.153 ' N ' ' O ' ' A' ' 147' ' ' ARG . 1.2 tt -49.18 -56.2 10.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.574 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -63.97 -50.55 60.03 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 151' ' ' TRP . . . . . . . . . . . . . 34.0 m95 -66.36 -55.79 14.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.827 0.346 . . . . 0.0 110.56 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 152' ' ' ILE . . . . . 0.697 ' N ' ' O ' ' A' ' 148' ' ' LEU . 8.2 tt -51.36 -34.24 14.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.553 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -67.54 -31.17 71.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.57 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -89.16 -4.54 58.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.591 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -97.53 0.78 48.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.566 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 83.68 24.63 49.26 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 89.83 -160.3 28.62 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 158' ' ' TRP . . . . . 0.661 ' CE2' HD11 ' A' ' 152' ' ' ILE . 99.2 m95 -73.94 -5.69 42.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.778 0.323 . . . . 0.0 110.569 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -60.84 -42.45 97.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.593 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -54.44 -32.13 52.18 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . 0.579 HD23 ' O ' ' A' ' 161' ' ' LEU . 2.1 tt -63.02 -53.99 45.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.838 0.351 . . . . 0.0 110.566 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 44.1 tp -67.14 -31.06 71.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.539 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 5.1 t -66.81 -26.1 66.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.614 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 91.1 t80 -76.9 -42.51 39.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.591 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -71.66 48.13 0.14 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.588 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -131.3 39.53 1.76 Allowed Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 167' ' ' THR . . . . . 0.995 ' OG1' ' HD2' ' A' ' 168' ' ' PRO . 0.6 OUTLIER -108.94 178.58 1.01 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 120.898 0.38 . . . . 0.0 110.537 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 168' ' ' PRO . . . . . 0.995 ' HD2' ' OG1' ' A' ' 167' ' ' THR . 43.0 Cg_endo -71.45 -145.69 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.727 0 C-N-CA 122.777 2.318 . . . . 0.0 112.092 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 169' ' ' THR . . . . . 0.589 ' C ' ' O ' ' A' ' 168' ' ' PRO . 7.1 p -23.39 102.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.532 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 170' ' ' TRP . . . . . 0.688 ' O ' HG22 ' A' ' 173' ' ' VAL . 33.1 p90 -65.45 -18.52 65.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.551 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 171' ' ' GLN . . . . . 0.524 ' NE2' ' OG1' ' A' ' 172' ' ' THR . 5.4 pp0? -47.16 -14.35 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.581 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 172' ' ' THR . . . . . 0.524 ' OG1' ' NE2' ' A' ' 171' ' ' GLN . 4.9 m -86.73 -29.56 22.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.574 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 173' ' ' VAL . . . . . 0.688 HG22 ' O ' ' A' ' 170' ' ' TRP . 2.0 m -72.1 -45.64 61.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.596 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 174' ' ' THR . . . . . 0.566 ' N ' ' CG2' ' A' ' 173' ' ' VAL . 24.7 m -64.59 -24.95 67.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.535 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 175' ' ' ILE . . . . . 0.513 HG22 ' O ' ' A' ' 172' ' ' THR . 1.6 tt -85.75 -7.53 10.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.573 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 176' ' ' PHE . . . . . 0.487 ' O ' HG12 ' A' ' 180' ' ' VAL . 64.1 t80 -94.65 -60.05 1.79 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.563 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 3.2 m -62.11 -16.71 16.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.582 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 178' ' ' ALA . . . . . 0.625 ' O ' ' OG1' ' A' ' 182' ' ' THR . . . -95.52 -45.91 6.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.599 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -62.3 -26.2 67.59 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 180' ' ' VAL . . . . . 0.698 HG13 ' N ' ' A' ' 181' ' ' LEU . 13.8 p -86.24 -51.74 12.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.802 0.334 . . . . 0.0 110.557 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 181' ' ' LEU . . . . . 0.698 ' N ' HG13 ' A' ' 180' ' ' VAL . 38.2 tp -69.31 -47.96 62.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.604 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 182' ' ' THR . . . . . 0.625 ' OG1' ' O ' ' A' ' 178' ' ' ALA . 25.3 m -50.48 -51.43 47.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.558 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -47.35 -45.72 24.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.564 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 184' ' ' SER . . . . . . . . . . . . . 29.4 t -54.45 -37.84 65.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.559 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 55.2 mt -77.71 -21.66 51.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.542 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 21.6 m -73.28 -44.88 58.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.576 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 187' ' ' ILE . . . . . 0.642 HG23 ' N ' ' A' ' 188' ' ' TRP . 12.9 tt -73.61 -51.71 23.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.579 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 188' ' ' TRP . . . . . 0.642 ' N ' HG23 ' A' ' 187' ' ' ILE . 0.2 OUTLIER -30.65 -56.96 0.21 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.589 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 7.6 mmtt -175.74 128.28 0.24 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.509 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 190' ' ' LYS . . . . . . . . . . . . . 14.6 ptmt -109.89 89.58 3.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.554 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 191' ' ' MET . . . . . . . . . . . . . 91.4 mtp -128.61 136.59 50.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.537 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.738 0 CA-C-O 118.03 -1.428 . . . . 0.0 110.932 -179.993 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.908 ' O ' HD12 ' A' ' 19' ' ' ILE . 1.1 p . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.748 0.309 . . . . 0.0 110.519 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.485 ' H ' ' HB2' ' A' ' 15' ' ' SER . 19.6 m -98.63 -12.75 20.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.568 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -84.19 -49.77 8.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.637 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.49 ' CD ' ' O ' ' A' ' 18' ' ' GLN . 3.5 tm0? -65.97 -22.8 66.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.508 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.908 HD12 ' O ' ' A' ' 15' ' ' SER . 90.6 mt -82.1 -55.85 7.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.433 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 51.0 ttp -52.59 -36.87 57.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.574 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 64.3 mmtt -66.85 -46.58 74.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.591 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.445 HG22 ' O ' ' A' ' 22' ' ' THR . 33.0 m -72.17 -7.24 48.06 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.512 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -80.08 -54.05 3.98 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.64 -8.81 59.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.736 0.303 . . . . 0.0 110.468 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.551 ' O ' ' C ' ' A' ' 26' ' ' LEU . 6.2 mt -86.93 -80.87 0.24 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.514 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.551 ' C ' ' O ' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -26.75 -65.93 0.07 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.596 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.419 ' C ' ' N ' ' A' ' 29' ' ' GLY . 5.6 tp -51.03 -57.93 7.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.542 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.506 ' HG2' HD21 ' A' ' 45' ' ' LEU . 8.1 tm0? -47.36 -18.12 0.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.617 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.539 ' O ' ' N ' ' A' ' 31' ' ' ILE . . . -88.56 -72.71 1.28 Allowed Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 42.7 t80 -42.23 -18.83 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.825 0.345 . . . . 0.0 110.568 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.539 ' N ' ' O ' ' A' ' 29' ' ' GLY . 88.8 mt -77.02 -69.16 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.557 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.517 ' O ' ' CG ' ' A' ' 32' ' ' GLN . 9.3 tt0 -79.0 30.04 0.21 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.57 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.414 ' H ' ' C ' ' A' ' 31' ' ' ILE . 66.4 t0 -112.94 -51.06 2.85 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.554 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 -91.17 -27.1 18.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.555 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.463 ' CB ' HD22 ' A' ' 122' ' ' LEU . . . -99.53 -12.63 19.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.576 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.661 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 -179.968 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.427 ' HB3' ' OE1' ' A' ' 32' ' ' GLN . 59.6 Cg_exo . . . . . 0 N--CA 1.49 1.318 0 CA-C-O 120.801 0.251 . . . . 0.0 112.132 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.425 ' OE1' ' N ' ' A' ' 44' ' ' GLU . 54.1 mp0 -95.64 -7.88 36.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.564 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.516 ' HG ' ' O ' ' A' ' 45' ' ' LEU . 50.5 tp -99.49 60.06 1.13 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.579 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.976 ' O ' HD23 ' A' ' 47' ' ' LEU . . . -63.18 148.52 47.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.494 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.976 HD23 ' O ' ' A' ' 46' ' ' ALA . 1.5 pp . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.549 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.444 ' OD2' ' OG ' ' A' ' 55' ' ' SER . 52.8 p-10 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.89 0.376 . . . . 0.0 110.515 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -82.03 -4.0 55.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.594 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.444 ' OG ' ' OD2' ' A' ' 53' ' ' ASP . 78.2 p -56.29 -40.23 73.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.568 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 75.5 p -81.36 -33.72 32.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.486 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.0 mmmt -51.08 -54.44 24.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.543 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 29.9 ttpt -60.2 -47.37 86.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.594 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.637 HD23 ' O ' ' A' ' 59' ' ' LEU . 0.9 OUTLIER -62.31 -26.3 68.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.576 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.3 t -71.39 -35.4 71.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.546 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 75.5 mt-10 -63.76 -31.72 72.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.543 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 91.8 m -64.32 -37.78 88.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.496 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.465 HD12 ' N ' ' A' ' 63' ' ' LEU . 10.5 mp -75.33 -24.75 57.44 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.515 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -84.35 -36.58 22.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.483 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.437 ' O ' ' OE2' ' A' ' 69' ' ' GLU . 99.8 mtt180 -68.55 -44.44 74.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.593 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 18.2 tt -76.47 -35.08 25.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.588 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.425 ' O ' ' CB ' ' A' ' 71' ' ' ASP . . . -60.98 -45.37 96.74 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.445 ' O ' ' OD1' ' A' ' 68' ' ' ASP . 68.4 t0 -62.74 -34.38 77.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.796 0.331 . . . . 0.0 110.61 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.552 ' N ' ' OE1' ' A' ' 69' ' ' GLU . 0.3 OUTLIER -79.62 -58.38 3.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.613 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.46 HD23 ' HA ' ' A' ' 70' ' ' LEU . 5.2 mt -55.14 -43.13 73.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.61 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.425 ' CB ' ' O ' ' A' ' 67' ' ' GLY . 38.9 t70 -65.01 -8.77 17.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.55 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.9 t -96.36 6.99 47.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.531 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.46 ' OD1' HD23 ' A' ' 70' ' ' LEU . 8.6 m120 -92.91 111.42 23.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.638 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 94.4 mmm -68.27 -11.17 58.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.563 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -80.39 -67.28 0.78 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.583 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 50.0 tp -59.81 -40.32 87.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.583 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 49.5 tt0 -61.71 -37.96 86.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.644 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 74.9 ttt180 -68.44 -44.94 73.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.576 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.488 ' SD ' HG23 ' A' ' 182' ' ' THR . 74.2 mtp -54.55 -43.89 72.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.621 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.644 ' O ' HG12 ' A' ' 83' ' ' VAL . 86.3 mt -62.39 -23.67 32.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.559 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -86.13 -18.55 32.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.557 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -86.53 -15.42 40.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.576 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.87 HG13 ' O ' ' A' ' 83' ' ' VAL . 8.0 p -89.4 82.71 2.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.527 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.424 ' O ' ' O ' ' A' ' 83' ' ' VAL . 54.3 p-10 -40.67 162.41 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.503 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 48.5 p -119.6 119.89 35.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.644 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -148.98 -0.01 0.52 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.439 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.703 ' O ' HG12 ' A' ' 91' ' ' VAL . 41.5 t -175.81 88.32 0.29 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.501 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.489 ' O ' ' CB ' ' A' ' 92' ' ' PHE . 37.5 Cg_endo -69.13 -15.14 39.19 Favored 'Trans proline' 0 C--N 1.305 -1.735 0 C-N-CA 122.721 2.28 . . . . 0.0 112.128 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 16.4 ptt-85 -86.59 -33.88 20.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.524 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -79.68 -57.28 3.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.47 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.703 HG12 ' O ' ' A' ' 87' ' ' SER . 9.1 p -57.76 -51.01 75.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.523 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.65 ' N ' HG13 ' A' ' 91' ' ' VAL . 85.6 t80 -46.29 -51.98 13.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.463 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -68.02 -30.54 69.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.439 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 16.0 tpp180 -71.49 -57.96 3.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.553 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.624 HG23 ' N ' ' A' ' 96' ' ' ALA . 27.7 m -59.37 -48.1 88.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.491 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.624 ' N ' HG23 ' A' ' 95' ' ' VAL . . . -55.08 -27.74 47.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.487 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -81.79 -39.02 24.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.53 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 99' ' ' MET . 99.4 m-20 -63.05 -38.64 91.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.596 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . 0.409 ' C ' ' O ' ' A' ' 98' ' ' ASP . 65.2 mtt -38.42 -68.86 0.14 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.599 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.612 ' CD2' ' O ' ' A' ' 100' ' ' PHE . 19.7 p90 -111.31 57.59 0.63 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.603 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.1 t -74.65 -26.79 60.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.641 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . 0.536 ' O ' ' C ' ' A' ' 103' ' ' GLY . 55.3 p-10 -155.64 -18.31 0.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.572 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.536 ' C ' ' O ' ' A' ' 102' ' ' ASP . . . -26.38 -80.7 0.01 OUTLIER Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . 0.608 ' O ' ' CG ' ' A' ' 105' ' ' PHE . 9.9 m-20 174.52 34.3 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.755 0.312 . . . . 0.0 110.592 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.608 ' CG ' ' O ' ' A' ' 104' ' ' ASN . 30.6 p90 42.66 29.13 0.15 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.543 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.52 ' O ' ' HB2' ' A' ' 107' ' ' TRP . 26.7 p30 -52.1 -110.54 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.557 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' TRP . . . . . 0.544 ' HE1' HD12 ' A' ' 148' ' ' LEU . 6.5 t90 174.65 -26.13 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.512 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . 0.591 ' O ' HG12 ' A' ' 111' ' ' VAL . . . -50.07 -42.21 39.33 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . 0.55 ' H ' ' HG3' ' A' ' 109' ' ' ARG . 0.0 OUTLIER -48.12 -26.1 1.73 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.74 0.305 . . . . 0.0 110.533 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.535 HG21 ' NE1' ' A' ' 107' ' ' TRP . 34.7 t -52.49 -57.95 3.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.55 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.591 HG12 ' O ' ' A' ' 108' ' ' GLY . 4.7 p -45.23 -46.75 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.596 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.58 ' N ' HG13 ' A' ' 111' ' ' VAL . . . -58.17 -34.89 70.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.519 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.661 ' O ' HD23 ' A' ' 113' ' ' LEU . 1.9 tt -57.0 -46.95 81.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.522 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -57.1 -44.07 82.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.619 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 92.0 t80 -67.86 -43.79 78.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.503 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.458 ' CE2' HG21 ' A' ' 95' ' ' VAL . 93.4 t80 -58.99 -41.79 88.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.541 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -70.95 -32.68 69.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.48 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 5.2 t -48.56 -44.43 36.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.524 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.811 ' O ' ' CB ' ' A' ' 123' ' ' LYS . 55.1 mmtt -59.68 -43.66 93.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.524 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 52.6 mt -68.15 -31.36 70.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.518 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.44 ' CG2' HG21 ' A' ' 136' ' ' ILE . 75.6 t -77.13 -53.36 14.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.511 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.463 HD22 ' CB ' ' A' ' 35' ' ' ALA . 70.0 mt -72.84 -41.19 65.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.576 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.811 ' CB ' ' O ' ' A' ' 119' ' ' LYS . 43.1 tptt -57.98 -41.55 83.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.551 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.453 ' O ' ' OG1' ' A' ' 127' ' ' THR . . . -75.05 -22.0 58.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.595 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 6.3 tt -63.0 -32.42 73.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.564 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 34.3 t -83.16 -35.64 25.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.638 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.749 ' O ' ' HB2' ' A' ' 128' ' ' LYS . 54.8 p -53.67 -18.8 3.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.588 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . 0.749 ' HB2' ' O ' ' A' ' 127' ' ' THR . 61.3 mttp 87.39 44.8 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.574 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 48.5 t -147.91 89.54 5.28 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.534 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' PRO . . . . . 0.415 ' HA ' HD12 ' A' ' 133' ' ' ILE . 43.0 Cg_endo -71.38 -15.02 31.3 Favored 'Trans proline' 0 C--N 1.305 -1.734 0 C-N-CA 122.69 2.26 . . . . 0.0 112.028 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . 0.795 ' O ' HG23 ' A' ' 135' ' ' THR . 80.9 tt0 -64.46 -39.38 93.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.502 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.519 ' HA ' ' OG1' ' A' ' 135' ' ' THR . 2.2 tp -62.94 -32.27 73.54 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.527 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.415 HD12 ' HA ' ' A' ' 130' ' ' PRO . 97.5 mt -58.88 -49.46 82.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.472 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . 0.417 HH21 ' HB3' ' A' ' 46' ' ' ALA . 88.8 mtt180 -69.34 -34.81 75.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.558 179.815 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . 0.795 HG23 ' O ' ' A' ' 131' ' ' GLU . 67.0 p -67.06 -32.05 72.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.451 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . 0.44 HG21 ' CG2' ' A' ' 121' ' ' VAL . 48.0 mt -69.57 -59.03 3.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.53 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 85.2 mtp -46.38 -25.39 0.64 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.549 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -68.74 -40.48 85.29 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' TRP . . . . . 0.559 ' CD1' ' N ' ' A' ' 139' ' ' TRP . 9.1 m0 -66.35 -24.43 66.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.758 0.313 . . . . 0.0 110.533 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' THR . . . . . 0.469 ' OG1' ' N ' ' A' ' 141' ' ' LEU . 22.9 p -75.49 -65.89 0.84 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.593 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . 0.469 ' N ' ' OG1' ' A' ' 140' ' ' THR . 54.5 mt -51.81 -33.63 36.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.514 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -65.65 -51.1 62.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.589 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . 0.447 ' O ' ' HB2' ' A' ' 147' ' ' ARG . 38.6 t80 -66.8 -38.94 87.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.505 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.582 HD12 ' HB2' ' A' ' 148' ' ' LEU . 2.2 tp -71.03 -35.53 72.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.577 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 58.6 ttp180 -83.02 -10.64 58.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.583 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -112.06 -4.59 14.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.528 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . 1.152 ' O ' ' N ' ' A' ' 149' ' ' LEU . 23.1 mmt180 -142.16 -110.81 0.13 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.556 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . 0.812 ' H ' HD22 ' A' ' 148' ' ' LEU . 1.0 OUTLIER -15.5 -27.79 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.536 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . 1.152 ' N ' ' O ' ' A' ' 147' ' ' ARG . 52.6 tp -49.04 -56.4 9.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.545 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -63.8 -50.66 59.69 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 151' ' ' TRP . . . . . . . . . . . . . 98.8 m95 -66.21 -55.91 13.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.805 0.336 . . . . 0.0 110.579 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 152' ' ' ILE . . . . . 0.695 ' N ' ' O ' ' A' ' 148' ' ' LEU . 10.2 tt -51.33 -34.24 14.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.605 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -67.5 -31.1 70.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.59 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 154' ' ' ASP . . . . . 0.458 ' O ' ' OD1' ' A' ' 154' ' ' ASP . 53.5 t0 -89.28 -4.6 58.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.539 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -97.48 0.82 48.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.544 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 83.71 24.78 48.62 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 89.73 -160.35 28.78 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 158' ' ' TRP . . . . . 0.411 ' NE1' HD11 ' A' ' 152' ' ' ILE . 49.2 m95 -73.91 -5.69 42.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.839 0.352 . . . . 0.0 110.563 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -60.81 -42.47 97.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.556 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -54.46 -32.18 52.32 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.871 -0.892 . . . . 0.0 110.871 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . 0.575 HD23 ' O ' ' A' ' 161' ' ' LEU . 1.9 tt -62.95 -54.04 44.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.783 0.325 . . . . 0.0 110.56 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 62.2 tp -66.98 -31.2 71.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.562 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 5.6 t -66.62 -26.47 67.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.597 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 93.5 t80 -76.32 -42.83 43.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.547 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -71.69 47.93 0.14 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.573 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -130.71 39.0 1.85 Allowed Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 167' ' ' THR . . . . . 1.081 ' OG1' ' HD2' ' A' ' 168' ' ' PRO . 0.6 OUTLIER -108.45 -178.86 0.61 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 120.855 0.36 . . . . 0.0 110.602 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 168' ' ' PRO . . . . . 1.081 ' HD2' ' OG1' ' A' ' 167' ' ' THR . 56.9 Cg_endo -74.75 -146.35 0.03 OUTLIER 'Trans proline' 0 C--N 1.305 -1.718 0 C-N-CA 122.846 2.364 . . . . 0.0 112.102 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 169' ' ' THR . . . . . 0.597 ' C ' ' O ' ' A' ' 168' ' ' PRO . 29.4 p -22.12 100.49 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.567 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 170' ' ' TRP . . . . . 0.687 ' O ' HG22 ' A' ' 173' ' ' VAL . 29.9 p90 -64.32 -18.63 64.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.628 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 171' ' ' GLN . . . . . 0.529 ' NE2' ' OG1' ' A' ' 172' ' ' THR . 5.3 pp0? -47.14 -14.15 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.549 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 172' ' ' THR . . . . . 0.529 ' OG1' ' NE2' ' A' ' 171' ' ' GLN . 5.0 m -87.02 -29.52 21.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.508 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 173' ' ' VAL . . . . . 0.687 HG22 ' O ' ' A' ' 170' ' ' TRP . 2.0 m -72.07 -45.66 62.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.572 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 174' ' ' THR . . . . . 0.567 ' N ' ' CG2' ' A' ' 173' ' ' VAL . 25.2 m -64.63 -24.86 67.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.53 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 175' ' ' ILE . . . . . 0.553 ' O ' HG22 ' A' ' 175' ' ' ILE . 90.5 mt -85.78 -7.53 10.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.528 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 176' ' ' PHE . . . . . 0.482 ' O ' HG12 ' A' ' 180' ' ' VAL . 63.0 t80 -94.67 -60.05 1.79 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.554 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 3.1 m -62.14 -16.76 16.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.59 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 178' ' ' ALA . . . . . 0.623 ' O ' ' OG1' ' A' ' 182' ' ' THR . . . -95.45 -45.97 6.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.556 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -62.28 -26.2 67.54 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 180' ' ' VAL . . . . . 0.698 HG13 ' N ' ' A' ' 181' ' ' LEU . 13.7 p -86.21 -51.78 12.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.81 0.338 . . . . 0.0 110.496 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 181' ' ' LEU . . . . . 0.698 ' N ' HG13 ' A' ' 180' ' ' VAL . 42.1 tp -69.27 -47.96 63.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.599 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 182' ' ' THR . . . . . 0.623 ' OG1' ' O ' ' A' ' 178' ' ' ALA . 25.6 m -50.57 -51.33 49.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.562 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -47.41 -45.65 25.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.594 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 184' ' ' SER . . . . . . . . . . . . . 29.7 t -54.43 -37.91 65.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.542 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 59.8 mt -77.62 -21.77 51.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.539 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 20.7 m -73.23 -44.86 58.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.563 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 187' ' ' ILE . . . . . 0.64 HG23 ' N ' ' A' ' 188' ' ' TRP . 12.6 tt -73.71 -51.56 24.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.561 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 188' ' ' TRP . . . . . 0.64 ' N ' HG23 ' A' ' 187' ' ' ILE . 0.2 OUTLIER -30.74 -56.98 0.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.552 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 8.0 mmtt -175.71 128.28 0.24 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.617 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 190' ' ' LYS . . . . . . . . . . . . . 14.2 ptmt -109.95 89.54 3.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.557 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 191' ' ' MET . . . . . . . . . . . . . 92.3 mtp -128.54 136.59 50.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.583 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.717 0 CA-C-O 117.981 -1.455 . . . . 0.0 110.93 -179.98 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.828 ' O ' HD12 ' A' ' 19' ' ' ILE . 53.1 p . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.744 0.307 . . . . 0.0 110.563 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 30.9 m -95.35 -18.51 20.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.602 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -90.94 -50.24 5.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.629 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.5 tm0? -55.12 -34.07 63.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.705 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.828 HD12 ' O ' ' A' ' 15' ' ' SER . 63.6 mt -73.76 -51.49 24.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.798 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 47.7 ttp -57.58 -35.49 70.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.739 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.469 ' O ' HD23 ' A' ' 25' ' ' LEU . 64.7 tttm -69.04 -42.05 76.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.718 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 30.1 m -74.22 -14.63 60.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.68 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -73.97 -54.08 6.67 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.59 -11.26 59.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.778 0.323 . . . . 0.0 110.635 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.528 ' O ' ' C ' ' A' ' 26' ' ' LEU . 2.2 mm? -86.1 -78.03 0.29 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.598 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.528 ' C ' ' O ' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -29.5 -64.34 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.567 -179.948 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.503 ' N ' HD12 ' A' ' 27' ' ' LEU . 11.0 mp -52.6 -56.37 15.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.61 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.646 HE22 ' HB3' ' A' ' 45' ' ' LEU . 34.8 tp60 -48.81 -18.04 0.24 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.66 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.527 ' O ' ' N ' ' A' ' 31' ' ' ILE . . . -88.59 -72.27 1.27 Allowed Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 42.9 t80 -42.59 -18.85 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.804 0.335 . . . . 0.0 110.604 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.527 ' N ' ' O ' ' A' ' 29' ' ' GLY . 90.3 mt -77.05 -68.83 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.611 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.568 ' CD ' HE21 ' A' ' 28' ' ' GLN . 15.7 pt20 -79.05 29.76 0.21 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.593 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.411 ' H ' ' C ' ' A' ' 31' ' ' ILE . 65.8 t0 -112.78 -50.98 2.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.582 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 15.7 ptm180 -91.32 -26.95 18.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.577 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.469 ' CB ' HD22 ' A' ' 122' ' ' LEU . . . -99.05 -13.15 19.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.533 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.6 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 -179.976 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 N--CA 1.49 1.308 0 CA-C-O 120.827 0.261 . . . . 0.0 112.12 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.689 ' OE1' ' N ' ' A' ' 44' ' ' GLU . 54.9 mp0 -70.12 -20.42 63.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.593 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.985 HD22 ' H ' ' A' ' 45' ' ' LEU . 0.4 OUTLIER -86.56 64.51 8.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.603 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -78.34 137.39 38.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.555 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.1 tp . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.539 -179.988 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 49.0 t0 . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.774 0.321 . . . . 0.0 110.615 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -83.44 -3.32 57.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.616 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 77.8 p -56.76 -39.94 74.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.563 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 45.9 p -81.05 -33.8 33.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.616 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 4.5 tmtt? -50.75 -54.61 21.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.631 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 30.8 ttpt -60.16 -47.51 85.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.563 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.64 HD23 ' O ' ' A' ' 59' ' ' LEU . 0.9 OUTLIER -62.15 -26.33 68.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.553 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.3 t -71.33 -35.46 71.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.554 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -63.67 -31.88 73.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.515 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.426 ' O ' HG22 ' A' ' 66' ' ' ILE . 99.4 m -64.24 -37.81 88.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.601 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.471 HD12 ' N ' ' A' ' 63' ' ' LEU . 9.7 mp -75.19 -24.81 57.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.602 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -84.19 -36.7 22.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.56 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.438 ' O ' ' OE2' ' A' ' 69' ' ' GLU . 99.7 mtt180 -68.49 -44.49 74.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.54 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.426 HG22 ' O ' ' A' ' 62' ' ' CYS . 20.5 tt -76.44 -35.01 25.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.636 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.425 ' O ' ' CB ' ' A' ' 71' ' ' ASP . . . -61.09 -45.43 96.59 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -62.73 -34.29 76.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.79 0.329 . . . . 0.0 110.591 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.527 ' N ' ' OE1' ' A' ' 69' ' ' GLU . 0.3 OUTLIER -79.64 -58.46 3.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.574 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.18 -43.07 74.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.557 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.529 ' OD1' ' NE2' ' A' ' 77' ' ' GLN . 38.8 t70 -65.09 -8.67 17.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.633 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.9 t -96.44 7.07 47.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.615 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -93.0 111.47 23.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.576 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 78.8 mtm -68.31 -11.22 59.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.524 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -80.35 -67.26 0.78 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.607 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 7.5 tp -59.91 -40.24 88.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.52 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.529 ' NE2' ' OD1' ' A' ' 71' ' ' ASP . 15.7 mm100 -61.83 -37.9 86.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.532 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 75.2 ttt180 -68.52 -44.94 73.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.561 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.487 ' SD ' HG23 ' A' ' 182' ' ' THR . 73.9 mtp -54.48 -43.95 72.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.594 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.645 ' O ' HG12 ' A' ' 83' ' ' VAL . 81.4 mt -62.36 -23.78 33.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.538 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -85.88 -18.84 31.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.596 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -86.43 -15.41 40.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.59 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.876 HG13 ' O ' ' A' ' 83' ' ' VAL . 8.0 p -89.38 82.18 2.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.571 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.437 ' O ' ' O ' ' A' ' 83' ' ' VAL . 99.1 m-20 -40.05 162.51 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.561 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 77.5 p -119.72 119.31 33.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.603 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 60.9 m-20 -148.2 0.02 0.6 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.531 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.695 ' O ' HG12 ' A' ' 91' ' ' VAL . 45.4 t -176.11 88.92 0.28 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.464 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.48 ' O ' ' CB ' ' A' ' 92' ' ' PHE . 38.1 Cg_endo -69.62 -14.42 36.51 Favored 'Trans proline' 0 C--N 1.305 -1.762 0 C-N-CA 122.82 2.347 . . . . 0.0 112.13 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 33.8 ptt-85 -86.63 -34.83 19.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.564 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -79.15 -57.8 3.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.554 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.695 HG12 ' O ' ' A' ' 87' ' ' SER . 10.0 p -56.72 -51.35 67.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.556 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.661 ' N ' HG13 ' A' ' 91' ' ' VAL . 84.7 t80 -46.3 -52.04 13.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.543 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -68.14 -30.19 69.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.502 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.668 ' NE ' ' HE1' ' A' ' 188' ' ' TRP . 23.9 ttp180 -71.73 -57.65 4.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.471 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.622 HG23 ' N ' ' A' ' 96' ' ' ALA . 27.8 m -59.76 -48.09 88.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.554 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.622 ' N ' HG23 ' A' ' 95' ' ' VAL . . . -55.01 -27.75 46.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.569 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -81.82 -38.87 24.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.501 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 99' ' ' MET . 99.7 m-20 -63.19 -38.62 91.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.574 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . 0.542 ' HB2' HH21 ' A' ' 109' ' ' ARG . 63.6 mtt -38.44 -68.89 0.14 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.559 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.605 ' CD2' ' O ' ' A' ' 100' ' ' PHE . 17.9 p90 -111.22 57.51 0.62 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.632 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.1 t -74.59 -26.85 60.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.595 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . 0.53 ' O ' ' C ' ' A' ' 103' ' ' GLY . 55.1 p-10 -155.63 -18.34 0.11 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.569 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.53 ' C ' ' O ' ' A' ' 102' ' ' ASP . . . -26.4 -80.6 0.01 OUTLIER Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . 0.606 ' O ' ' CG ' ' A' ' 105' ' ' PHE . 8.8 m-20 174.47 34.39 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.766 0.317 . . . . 0.0 110.579 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.606 ' CG ' ' O ' ' A' ' 104' ' ' ASN . 29.8 p90 42.69 29.0 0.14 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.5 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.518 ' O ' ' HB2' ' A' ' 107' ' ' TRP . 28.0 p30 -52.09 -110.52 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.593 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' TRP . . . . . 0.545 ' NE1' HG21 ' A' ' 110' ' ' VAL . 6.7 t90 174.7 -26.18 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.474 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . 0.588 ' O ' HG12 ' A' ' 111' ' ' VAL . . . -50.19 -41.99 39.92 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . 0.542 HH21 ' HB2' ' A' ' 99' ' ' MET . 0.0 OUTLIER -48.13 -26.22 1.78 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.772 0.32 . . . . 0.0 110.575 179.945 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.545 HG21 ' NE1' ' A' ' 107' ' ' TRP . 36.1 t -52.5 -57.85 3.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.544 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.588 HG12 ' O ' ' A' ' 108' ' ' GLY . 4.6 p -45.32 -46.72 3.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.511 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.579 ' N ' HG13 ' A' ' 111' ' ' VAL . . . -58.0 -35.34 71.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.563 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.67 ' O ' HD23 ' A' ' 113' ' ' LEU . 2.0 tt -56.65 -46.84 80.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.564 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . 0.446 ' CZ ' ' CG1' ' A' ' 110' ' ' VAL . 9.8 m-85 -57.09 -44.18 82.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.549 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 93.3 t80 -67.99 -43.75 78.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.538 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.451 ' CE2' HG21 ' A' ' 95' ' ' VAL . 93.1 t80 -58.8 -42.03 88.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.573 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.513 ' O ' HG23 ' A' ' 121' ' ' VAL . . . -70.84 -32.66 69.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.504 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 4.7 t -48.48 -44.62 35.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.557 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.82 ' O ' ' CB ' ' A' ' 123' ' ' LYS . 30.4 mmtm -59.53 -43.72 93.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.493 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 52.8 mt -67.98 -31.62 71.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.57 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.736 HG13 HG23 ' A' ' 133' ' ' ILE . 49.2 t -76.77 -53.54 14.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.603 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.469 HD22 ' CB ' ' A' ' 35' ' ' ALA . 71.1 mt -72.91 -40.89 65.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.574 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.82 ' CB ' ' O ' ' A' ' 119' ' ' LYS . 88.7 tttt -58.07 -41.12 82.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.557 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -75.61 -22.12 57.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.594 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 54.2 tp -62.83 -32.41 73.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.523 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' CYS . . . . . 0.477 ' SG ' ' N ' ' A' ' 127' ' ' THR . 13.1 p -83.14 -35.45 25.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.594 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.748 ' O ' ' HB2' ' A' ' 128' ' ' LYS . 55.8 m -53.57 -18.76 3.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.516 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . 0.748 ' HB2' ' O ' ' A' ' 127' ' ' THR . 42.2 mtmt 87.63 43.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.6 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 129' ' ' VAL . 17.6 m -147.28 90.97 5.18 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.61 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -72.66 -14.46 27.27 Favored 'Trans proline' 0 C--N 1.305 -1.717 0 C-N-CA 122.788 2.325 . . . . 0.0 112.004 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -65.06 -39.87 93.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.496 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 2.1 tp -62.23 -32.52 73.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.577 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.736 HG23 HG13 ' A' ' 121' ' ' VAL . 22.1 mm -58.8 -49.32 83.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.493 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 63.3 ttm-85 -69.57 -34.65 74.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.427 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 7.8 m -67.26 -31.77 72.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.52 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . 0.419 HG21 ' CG2' ' A' ' 121' ' ' VAL . 45.5 mt -69.9 -58.67 4.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.524 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 65.2 ttp -46.64 -25.41 0.71 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.484 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -68.75 -40.47 85.25 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' TRP . . . . . 0.507 ' CD1' ' N ' ' A' ' 139' ' ' TRP . 12.6 m0 -66.3 -24.42 66.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.767 0.317 . . . . 0.0 110.564 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' THR . . . . . 0.468 ' OG1' ' N ' ' A' ' 141' ' ' LEU . 24.1 p -75.52 -65.81 0.85 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.574 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . 0.468 ' N ' ' OG1' ' A' ' 140' ' ' THR . 57.3 mt -51.8 -33.58 36.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.594 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -65.69 -51.13 61.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.564 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . 0.438 ' O ' ' HB2' ' A' ' 147' ' ' ARG . 5.9 t80 -66.8 -38.89 87.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.586 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.56 HD12 ' HB2' ' A' ' 148' ' ' LEU . 1.8 tp -71.04 -35.55 72.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.557 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 59.2 ttp180 -83.06 -10.67 58.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.593 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -111.96 -4.7 14.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.577 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . 1.152 ' O ' ' N ' ' A' ' 149' ' ' LEU . 11.4 mtp180 -142.02 -110.84 0.13 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.588 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . 0.815 ' H ' HD22 ' A' ' 148' ' ' LEU . 1.0 OUTLIER -15.45 -27.72 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.504 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . 1.152 ' N ' ' O ' ' A' ' 147' ' ' ARG . 33.8 tp -49.13 -56.33 9.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.521 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -63.9 -50.68 59.32 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 151' ' ' TRP . . . . . . . . . . . . . 99.1 m95 -66.16 -55.94 13.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.859 0.361 . . . . 0.0 110.56 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 152' ' ' ILE . . . . . 0.696 ' N ' ' O ' ' A' ' 148' ' ' LEU . 10.5 tt -51.32 -34.36 14.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.546 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 12.3 tm0? -67.42 -31.18 71.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.619 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -89.11 -4.64 58.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.58 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -97.48 0.9 48.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.551 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 83.69 24.72 48.94 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 89.77 -160.34 28.72 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 158' ' ' TRP . . . . . 0.483 ' CD1' HD11 ' A' ' 152' ' ' ILE . 33.4 m95 -73.93 -5.69 42.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.767 0.318 . . . . 0.0 110.56 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -60.84 -42.44 97.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.606 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -54.36 -32.32 51.74 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.876 -0.89 . . . . 0.0 110.876 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . 0.586 HD23 ' O ' ' A' ' 161' ' ' LEU . 2.1 tt -62.87 -54.03 44.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.824 0.345 . . . . 0.0 110.579 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 49.1 tp -67.0 -31.14 71.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.581 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 5.2 t -66.63 -26.69 67.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.517 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 94.3 t80 -76.07 -42.86 46.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.631 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -71.62 47.89 0.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.617 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -130.65 38.9 1.87 Allowed Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 167' ' ' THR . . . . . 1.103 ' OG1' ' HD2' ' A' ' 168' ' ' PRO . 0.6 OUTLIER -108.53 -178.38 0.56 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 120.912 0.387 . . . . 0.0 110.569 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 168' ' ' PRO . . . . . 1.103 ' HD2' ' OG1' ' A' ' 167' ' ' THR . 57.2 Cg_endo -75.34 -147.01 0.03 OUTLIER 'Trans proline' 0 C--N 1.305 -1.759 0 C-N-CA 122.827 2.352 . . . . 0.0 112.082 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 169' ' ' THR . . . . . 0.602 ' C ' ' O ' ' A' ' 168' ' ' PRO . 20.1 p -21.35 100.23 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.552 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 170' ' ' TRP . . . . . 0.68 ' O ' HG22 ' A' ' 173' ' ' VAL . 34.0 p90 -64.18 -18.56 64.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.572 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 171' ' ' GLN . . . . . 0.551 ' NE2' ' OG1' ' A' ' 172' ' ' THR . 5.5 pp0? -47.21 -14.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.556 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 172' ' ' THR . . . . . 0.551 ' OG1' ' NE2' ' A' ' 171' ' ' GLN . 5.4 m -87.11 -29.56 21.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.5 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 173' ' ' VAL . . . . . 0.68 HG22 ' O ' ' A' ' 170' ' ' TRP . 1.9 m -72.07 -45.65 62.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.561 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 174' ' ' THR . . . . . 0.566 ' N ' ' CG2' ' A' ' 173' ' ' VAL . 24.9 m -64.56 -25.02 67.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.546 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 175' ' ' ILE . . . . . 0.519 HG22 ' O ' ' A' ' 172' ' ' THR . 1.7 tt -85.66 -7.59 10.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.575 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 176' ' ' PHE . . . . . 0.482 ' O ' HG12 ' A' ' 180' ' ' VAL . 63.8 t80 -94.61 -60.01 1.8 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.611 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 3.1 m -62.13 -16.75 16.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.536 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 178' ' ' ALA . . . . . 0.62 ' O ' ' OG1' ' A' ' 182' ' ' THR . . . -95.55 -45.91 6.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.578 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -62.27 -26.22 67.54 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 180' ' ' VAL . . . . . 0.7 HG13 ' N ' ' A' ' 181' ' ' LEU . 13.6 p -86.25 -51.72 12.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.829 0.347 . . . . 0.0 110.577 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 181' ' ' LEU . . . . . 0.7 ' N ' HG13 ' A' ' 180' ' ' VAL . 42.0 tp -69.31 -47.9 63.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.666 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 182' ' ' THR . . . . . 0.62 ' OG1' ' O ' ' A' ' 178' ' ' ALA . 26.1 m -50.54 -51.41 48.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.584 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -47.3 -45.71 24.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.602 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 184' ' ' SER . . . . . . . . . . . . . 27.4 t -54.5 -37.82 65.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.592 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 62.4 mt -77.65 -21.69 51.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.587 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 20.4 m -73.28 -44.89 58.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.53 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 187' ' ' ILE . . . . . 0.637 HG23 ' N ' ' A' ' 188' ' ' TRP . 12.4 tt -73.72 -51.57 24.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.57 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 188' ' ' TRP . . . . . 0.668 ' HE1' ' NE ' ' A' ' 94' ' ' ARG . 8.0 t90 -30.67 -56.91 0.21 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.594 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 7.5 mmtt -175.77 128.25 0.24 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.572 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 190' ' ' LYS . . . . . . . . . . . . . 14.6 ptmt -109.92 89.55 3.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.577 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 191' ' ' MET . . . . . . . . . . . . . 82.5 mtp -128.58 136.64 50.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.577 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.789 0 CA-C-O 117.989 -1.451 . . . . 0.0 110.913 -179.958 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 90.5 p . . . . . 0 CA--C 1.526 0.041 0 CA-C-O 120.839 0.352 . . . . 0.0 110.561 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.8 m -89.79 -10.25 46.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.513 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -73.23 -44.91 58.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.615 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.604 HE22 ' CG2' ' A' ' 22' ' ' THR . 2.1 tm0? -73.01 -21.23 60.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.563 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.44 HG23 ' HE1' ' A' ' 158' ' ' TRP . 30.3 mt -83.38 -56.95 4.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.439 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.448 ' C ' ' SD ' ' A' ' 20' ' ' MET . 2.1 tmt? -51.38 -37.02 45.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.597 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -67.19 -46.41 74.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.571 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.604 ' CG2' HE22 ' A' ' 18' ' ' GLN . 41.7 p -72.01 -6.84 45.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.587 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -80.77 -53.92 3.84 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.29 -9.23 59.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.804 0.335 . . . . 0.0 110.537 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.592 HD23 ' C ' ' A' ' 25' ' ' LEU . 6.4 tt -86.67 -81.04 0.23 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.587 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.553 ' C ' ' O ' ' A' ' 25' ' ' LEU . 67.8 mt -26.36 -66.05 0.06 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.563 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.965 ' O ' HG13 ' A' ' 31' ' ' ILE . 3.8 tp -51.13 -58.08 7.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.512 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.641 ' HA ' HD12 ' A' ' 31' ' ' ILE . 7.3 tp-100 -47.25 -17.91 0.08 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.527 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.546 ' O ' ' N ' ' A' ' 31' ' ' ILE . . . -88.77 -72.86 1.28 Allowed Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -42.08 -18.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.803 0.335 . . . . 0.0 110.631 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.965 HG13 ' O ' ' A' ' 27' ' ' LEU . 57.6 mt -76.93 -69.35 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.552 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.751 ' CB ' HD12 ' A' ' 45' ' ' LEU . 27.4 tt0 -78.69 29.62 0.2 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.588 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.419 ' H ' ' C ' ' A' ' 31' ' ' ILE . 66.5 t0 -112.43 -51.52 2.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.599 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 -90.65 -27.5 18.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.516 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.464 ' CB ' HD22 ' A' ' 122' ' ' LEU . . . -98.08 -13.78 20.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.567 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.43 ' O ' ' O ' ' A' ' 32' ' ' GLN . . . . . . . . 0 CA--C 1.524 0.651 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.622 ' HB3' ' NE2' ' A' ' 32' ' ' GLN . 50.2 Cg_exo . . . . . 0 N--CA 1.492 1.393 0 CA-C-O 120.805 0.252 . . . . 0.0 112.079 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 56.3 mp0 -94.86 -13.92 25.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.533 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.751 HD12 ' CB ' ' A' ' 32' ' ' GLN . 45.1 mt -99.02 62.22 1.28 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.564 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.494 ' O ' ' HB2' ' A' ' 47' ' ' LEU . . . -71.65 136.92 47.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.619 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.494 ' HB2' ' O ' ' A' ' 46' ' ' ALA . 1.6 tp . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.566 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.785 0.326 . . . . 0.0 110.621 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -83.26 -3.1 57.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.627 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 91.2 p -59.17 -39.58 82.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.551 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 17.9 p -81.72 -33.78 30.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.604 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 64.1 mmtt -50.27 -54.84 18.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.565 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 30.8 ttpt -59.84 -47.84 84.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.599 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.624 HD23 ' O ' ' A' ' 59' ' ' LEU . 0.8 OUTLIER -61.9 -26.35 68.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.548 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.5 t -71.28 -35.37 71.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.597 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -63.82 -31.74 73.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.616 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.433 ' O ' HG22 ' A' ' 66' ' ' ILE . 95.4 m -64.3 -37.88 89.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.569 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.488 HD12 ' N ' ' A' ' 63' ' ' LEU . 8.3 mp -75.24 -24.57 57.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.645 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -84.33 -36.67 22.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.502 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.437 ' O ' ' OE2' ' A' ' 69' ' ' GLU . 99.7 mtt180 -68.62 -44.4 74.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.551 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.433 HG22 ' O ' ' A' ' 62' ' ' CYS . 20.4 tt -76.54 -35.01 25.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.548 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.428 ' O ' ' CB ' ' A' ' 71' ' ' ASP . . . -61.03 -45.43 96.61 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -62.72 -34.26 76.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.717 0.294 . . . . 0.0 110.558 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.541 ' N ' ' OE1' ' A' ' 69' ' ' GLU . 0.3 OUTLIER -79.74 -58.48 3.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.487 -179.93 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.21 -43.05 74.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.518 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.428 ' CB ' ' O ' ' A' ' 67' ' ' GLY . 53.0 t0 -65.05 -8.69 17.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.589 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.7 t -96.45 7.06 47.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.567 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -92.97 111.5 23.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.54 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 3.9 mmt -68.38 -11.19 59.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.498 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -80.29 -67.34 0.78 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.553 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 7.1 tp -59.85 -40.25 87.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.608 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.608 HE22 ' NZ ' ' A' ' 119' ' ' LYS . 20.5 mm100 -61.73 -38.05 86.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.532 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 72.3 ttt180 -68.4 -44.98 73.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.573 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.492 ' SD ' HG23 ' A' ' 182' ' ' THR . 74.1 mtp -54.53 -43.95 72.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.549 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.646 ' O ' HG12 ' A' ' 83' ' ' VAL . 86.0 mt -62.31 -23.74 32.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.627 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -85.94 -18.71 31.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.55 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -86.45 -15.56 39.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.53 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.881 HG13 ' O ' ' A' ' 83' ' ' VAL . 7.6 p -89.38 83.05 2.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.63 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 53.8 p-10 -41.52 161.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.427 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 75.4 p -119.05 121.13 39.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.581 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -149.89 0.06 0.46 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.426 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.644 ' O ' HG12 ' A' ' 91' ' ' VAL . 35.4 t -175.88 85.63 0.29 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.477 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.51 ' O ' ' CB ' ' A' ' 92' ' ' PHE . 29.5 Cg_endo -66.14 -16.55 52.48 Favored 'Trans proline' 0 C--N 1.305 -1.727 0 C-N-CA 122.793 2.329 . . . . 0.0 112.07 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 34.4 ptt-85 -84.61 -36.74 21.83 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.464 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -76.68 -58.98 2.97 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.511 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.673 HG13 ' N ' ' A' ' 92' ' ' PHE . 10.3 p -55.79 -52.1 52.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.565 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.673 ' N ' HG13 ' A' ' 91' ' ' VAL . 85.2 t80 -45.38 -52.99 9.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.478 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -67.15 -30.85 70.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.509 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 16.1 tpp180 -71.1 -58.18 3.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.556 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.624 HG23 ' N ' ' A' ' 96' ' ' ALA . 27.9 m -59.17 -48.18 87.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.575 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.624 ' N ' HG23 ' A' ' 95' ' ' VAL . . . -54.92 -27.73 45.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.51 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -81.95 -38.86 24.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.558 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 99' ' ' MET . 99.8 m-20 -63.14 -38.65 92.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.572 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . 0.526 ' HB2' HH21 ' A' ' 109' ' ' ARG . 64.1 mtt -38.24 -69.07 0.13 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.522 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.608 ' CD2' ' O ' ' A' ' 100' ' ' PHE . 17.3 p90 -111.2 57.67 0.62 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.585 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.3 t -74.74 -26.85 60.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.626 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . 0.552 ' O ' ' C ' ' A' ' 103' ' ' GLY . 55.3 p-10 -155.6 -18.27 0.11 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.547 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.552 ' C ' ' O ' ' A' ' 102' ' ' ASP . . . -26.41 -80.68 0.01 OUTLIER Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . 0.607 ' O ' ' CG ' ' A' ' 105' ' ' PHE . 8.3 m-20 174.55 34.35 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.831 0.348 . . . . 0.0 110.584 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.607 ' CG ' ' O ' ' A' ' 104' ' ' ASN . 27.8 p90 42.61 29.15 0.15 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.574 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.523 ' CG ' ' H ' ' A' ' 107' ' ' TRP . 28.7 p30 -52.11 -110.47 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.54 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' TRP . . . . . 0.535 ' NE1' HG21 ' A' ' 110' ' ' VAL . 6.5 t90 174.57 -26.19 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.522 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . 0.591 ' O ' HG12 ' A' ' 111' ' ' VAL . . . -50.18 -42.02 39.92 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . 0.526 HH21 ' HB2' ' A' ' 99' ' ' MET . 0.0 OUTLIER -48.16 -26.01 1.72 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.808 0.337 . . . . 0.0 110.534 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.535 HG21 ' NE1' ' A' ' 107' ' ' TRP . 33.8 t -52.67 -57.9 3.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.53 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.591 HG12 ' O ' ' A' ' 108' ' ' GLY . 4.7 p -45.25 -46.83 3.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.54 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.581 ' N ' HG13 ' A' ' 111' ' ' VAL . . . -58.12 -34.93 70.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.534 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.667 ' O ' HD23 ' A' ' 113' ' ' LEU . 1.9 tt -56.97 -46.62 82.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.558 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . 0.44 ' CZ ' ' CG1' ' A' ' 110' ' ' VAL . 10.2 m-85 -57.41 -43.96 84.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.484 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 88.1 t80 -68.18 -43.39 78.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.528 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.446 ' CE2' HG21 ' A' ' 95' ' ' VAL . 92.5 t80 -59.12 -41.88 89.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.559 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.531 ' O ' HG23 ' A' ' 121' ' ' VAL . . . -71.09 -32.42 69.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.525 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 4.9 t -48.72 -44.03 37.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.534 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.819 ' O ' ' CB ' ' A' ' 123' ' ' LYS . 60.3 mmtt -60.25 -43.51 96.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.54 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 52.6 mt -68.26 -30.69 69.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.523 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.709 HG13 HG23 ' A' ' 133' ' ' ILE . 49.0 t -77.59 -53.54 14.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.538 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.464 HD22 ' CB ' ' A' ' 35' ' ' ALA . 69.3 mt -72.99 -40.69 65.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.558 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.819 ' CB ' ' O ' ' A' ' 119' ' ' LYS . 65.3 tttm -58.19 -40.93 82.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.595 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.429 ' O ' ' OG1' ' A' ' 127' ' ' THR . . . -76.28 -20.43 57.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.575 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.419 HD12 ' HA ' ' A' ' 125' ' ' LEU . 40.6 tp -64.62 -30.37 71.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.548 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' CYS . . . . . 0.499 ' SG ' ' N ' ' A' ' 127' ' ' THR . 6.3 p -84.71 -35.73 22.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.547 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.556 ' O ' ' CB ' ' A' ' 128' ' ' LYS . 40.3 p -54.64 -17.11 2.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.487 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . 0.556 ' CB ' ' O ' ' A' ' 127' ' ' THR . 73.7 tttt 85.07 47.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.57 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . 0.535 ' CG2' ' OG1' ' A' ' 127' ' ' THR . 0.2 OUTLIER -148.8 85.97 5.91 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.53 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' PRO . . . . . 0.404 ' HA ' HG12 ' A' ' 133' ' ' ILE . 35.1 Cg_endo -68.22 -15.73 43.11 Favored 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 122.85 2.366 . . . . 0.0 112.021 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -63.38 -42.49 98.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.469 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 8.6 mp -59.67 -34.23 72.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.492 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.709 HG23 HG13 ' A' ' 121' ' ' VAL . 21.2 mm -56.88 -50.23 76.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.518 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 -69.07 -34.9 75.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.483 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 8.2 m -67.14 -31.96 72.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.504 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . 0.414 HG21 ' CG2' ' A' ' 121' ' ' VAL . 46.4 mt -69.68 -58.88 4.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.545 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 84.0 mtp -46.4 -25.65 0.69 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.532 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -68.57 -40.47 86.12 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' TRP . . . . . 0.512 ' CD1' ' N ' ' A' ' 139' ' ' TRP . 12.9 m0 -66.31 -24.5 66.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.844 0.355 . . . . 0.0 110.563 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' THR . . . . . 0.499 ' OG1' ' N ' ' A' ' 141' ' ' LEU . 16.1 p -75.48 -65.73 0.86 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.568 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . 0.499 ' N ' ' OG1' ' A' ' 140' ' ' THR . 55.1 mt -51.88 -33.64 37.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.513 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -65.75 -50.98 62.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.58 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . 0.489 ' O ' ' HB2' ' A' ' 147' ' ' ARG . 37.1 t80 -66.92 -38.84 86.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.549 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.511 ' HA ' HD23 ' A' ' 148' ' ' LEU . 0.4 OUTLIER -71.04 -35.54 72.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.555 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 59.0 ttp180 -82.98 -10.68 58.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.561 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -112.07 -4.6 14.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.58 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . 1.154 ' O ' ' N ' ' A' ' 149' ' ' LEU . 8.0 mtp180 -142.18 -110.89 0.13 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.64 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . 0.845 ' H ' HD22 ' A' ' 148' ' ' LEU . 1.0 OUTLIER -15.35 -27.75 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.542 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . 1.154 ' N ' ' O ' ' A' ' 147' ' ' ARG . 40.2 tp -49.2 -56.3 9.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.529 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -63.83 -50.63 59.82 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 151' ' ' TRP . . . . . . . . . . . . . 99.5 m95 -66.24 -55.91 13.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.819 0.342 . . . . 0.0 110.578 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 152' ' ' ILE . . . . . 0.698 ' N ' ' O ' ' A' ' 148' ' ' LEU . 9.1 tt -51.28 -34.29 14.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.494 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 56.8 tt0 -67.53 -31.12 71.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.537 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -89.23 -4.57 58.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.57 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -97.49 0.74 48.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.58 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 83.75 24.57 49.21 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 89.9 -160.4 28.61 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 158' ' ' TRP . . . . . 0.44 ' HE1' HG23 ' A' ' 19' ' ' ILE . 58.5 m95 -73.87 -5.65 42.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.76 0.314 . . . . 0.0 110.52 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -60.88 -42.5 98.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.544 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -54.49 -31.99 52.35 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . 0.588 HD23 ' O ' ' A' ' 161' ' ' LEU . 2.0 tt -63.04 -53.97 45.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.847 0.356 . . . . 0.0 110.546 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 52.3 tp -67.26 -30.96 70.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.487 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 21.3 t -66.99 -25.91 66.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.602 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 91.8 t80 -77.05 -42.45 38.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.627 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -71.65 48.28 0.15 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.502 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -131.53 39.61 1.75 Allowed Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 167' ' ' THR . . . . . 0.957 ' OG1' ' HD2' ' A' ' 168' ' ' PRO . 0.6 OUTLIER -108.91 177.88 1.16 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 120.86 0.362 . . . . 0.0 110.602 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 168' ' ' PRO . . . . . 0.957 ' HD2' ' OG1' ' A' ' 167' ' ' THR . 38.6 Cg_endo -70.31 -145.08 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.738 0 C-N-CA 122.815 2.343 . . . . 0.0 112.066 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 169' ' ' THR . . . . . 0.58 ' C ' ' O ' ' A' ' 168' ' ' PRO . 19.1 p -24.47 103.0 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.57 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 170' ' ' TRP . . . . . 0.691 ' O ' HG22 ' A' ' 173' ' ' VAL . 33.5 p90 -65.88 -18.45 65.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.594 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 171' ' ' GLN . . . . . 0.528 ' NE2' ' OG1' ' A' ' 172' ' ' THR . 5.4 pp0? -47.2 -14.41 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.498 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 172' ' ' THR . . . . . 0.528 ' OG1' ' NE2' ' A' ' 171' ' ' GLN . 4.9 m -86.64 -29.5 22.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.595 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 173' ' ' VAL . . . . . 0.691 HG22 ' O ' ' A' ' 170' ' ' TRP . 2.0 m -72.12 -45.66 61.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.58 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 174' ' ' THR . . . . . 0.564 ' N ' ' CG2' ' A' ' 173' ' ' VAL . 25.1 m -64.59 -24.89 67.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.578 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 175' ' ' ILE . . . . . 0.555 ' O ' HG22 ' A' ' 175' ' ' ILE . 89.3 mt -85.84 -7.41 10.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.537 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 176' ' ' PHE . . . . . 0.484 ' O ' HG12 ' A' ' 180' ' ' VAL . 64.1 t80 -94.72 -60.02 1.79 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.549 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 3.2 m -62.13 -16.7 16.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.532 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 178' ' ' ALA . . . . . 0.625 ' O ' ' OG1' ' A' ' 182' ' ' THR . . . -95.58 -45.9 6.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.546 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -62.34 -26.09 67.53 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 180' ' ' VAL . . . . . 0.697 HG13 ' N ' ' A' ' 181' ' ' LEU . 13.6 p -86.24 -51.79 12.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.756 0.312 . . . . 0.0 110.554 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 181' ' ' LEU . . . . . 0.697 ' N ' HG13 ' A' ' 180' ' ' VAL . 43.4 tp -69.27 -47.95 63.14 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.598 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 182' ' ' THR . . . . . 0.625 ' OG1' ' O ' ' A' ' 178' ' ' ALA . 25.3 m -50.55 -51.31 49.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.592 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -47.39 -45.74 25.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.58 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 184' ' ' SER . . . . . . . . . . . . . 27.8 t -54.38 -37.9 65.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.617 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 62.9 mt -77.62 -21.66 51.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.589 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 21.7 m -73.31 -44.82 58.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.598 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 187' ' ' ILE . . . . . 0.636 HG23 ' N ' ' A' ' 188' ' ' TRP . 12.3 tt -73.67 -51.66 24.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.605 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 188' ' ' TRP . . . . . 0.636 ' N ' HG23 ' A' ' 187' ' ' ILE . 0.1 OUTLIER -30.67 -56.99 0.21 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.619 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 8.2 mmtt -175.72 128.37 0.24 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.543 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 190' ' ' LYS . . . . . . . . . . . . . 14.7 ptmt -109.97 89.52 3.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.539 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 191' ' ' MET . . . . . . . . . . . . . 84.6 mtp -128.58 136.61 50.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.524 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.707 0 CA-C-O 117.987 -1.452 . . . . 0.0 110.926 179.972 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.966 ' O ' HD12 ' A' ' 19' ' ' ILE . 4.2 p . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.886 0.374 . . . . 0.0 110.517 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 45.9 m -96.3 -10.95 26.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.578 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -88.43 -49.56 6.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.588 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -65.78 -23.69 66.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.582 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.966 HD12 ' O ' ' A' ' 15' ' ' SER . 84.6 mt -81.35 -54.79 9.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.625 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.451 ' C ' ' SD ' ' A' ' 20' ' ' MET . 13.4 tmm? -53.58 -36.61 62.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.614 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.3 tppt? -67.19 -46.37 74.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.586 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.455 HG22 ' O ' ' A' ' 22' ' ' THR . 40.5 m -72.05 -8.07 52.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.557 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -79.45 -53.93 4.19 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.44 -9.25 59.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.818 0.342 . . . . 0.0 110.491 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.598 HD23 ' C ' ' A' ' 25' ' ' LEU . 6.6 tt -86.63 -80.92 0.23 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.538 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.553 ' C ' ' O ' ' A' ' 25' ' ' LEU . 48.6 tp -26.57 -66.07 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.567 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.423 ' C ' ' N ' ' A' ' 29' ' ' GLY . 5.7 tp -51.04 -57.99 7.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.618 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.454 ' HA ' HD12 ' A' ' 31' ' ' ILE . 9.5 tm0? -47.35 -17.9 0.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.544 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.542 ' O ' ' N ' ' A' ' 31' ' ' ILE . . . -88.83 -72.87 1.28 Allowed Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.876 -0.889 . . . . 0.0 110.876 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -42.08 -18.8 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.795 0.331 . . . . 0.0 110.573 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.542 ' N ' ' O ' ' A' ' 29' ' ' GLY . 96.9 mt -77.04 -69.15 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.609 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.411 ' O ' ' CD ' ' A' ' 32' ' ' GLN . 4.9 pp0? -78.88 29.95 0.2 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.584 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.417 ' H ' ' C ' ' A' ' 31' ' ' ILE . 65.3 t0 -112.89 -51.11 2.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.554 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -91.23 -27.03 18.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.548 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.47 ' CB ' HD22 ' A' ' 122' ' ' LEU . . . -99.0 -13.14 20.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.598 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 35' ' ' ALA . . . . . . . . 0 CA--C 1.525 0.683 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo . . . . . 0 N--CA 1.492 1.388 0 CA-C-O 120.805 0.252 . . . . 0.0 112.115 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.422 ' OE1' ' N ' ' A' ' 44' ' ' GLU . 54.4 mp0 -94.1 -11.78 29.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.606 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.532 HD12 ' CG2' ' A' ' 31' ' ' ILE . 0.7 OUTLIER -98.31 61.7 1.45 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.58 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.43 ' O ' ' HB2' ' A' ' 47' ' ' LEU . . . -70.32 138.08 51.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.578 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.43 ' HB2' ' O ' ' A' ' 46' ' ' ALA . 22.6 tp . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.556 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.783 0.325 . . . . 0.0 110.638 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -82.61 -0.66 48.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.574 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 40.9 t -60.68 -39.41 88.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.561 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 27.7 p -82.78 -33.79 27.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.577 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 56.6 tttp -49.9 -54.98 16.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.572 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 6.0 tppt? -59.61 -48.16 82.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.63 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.637 HD23 ' O ' ' A' ' 59' ' ' LEU . 0.9 OUTLIER -61.57 -26.25 67.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.608 179.936 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.6 t -71.41 -35.36 70.97 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.6 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -63.94 -31.66 72.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.629 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 93.8 m -64.28 -37.81 88.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.595 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.472 HD12 ' N ' ' A' ' 63' ' ' LEU . 9.0 mp -75.33 -24.62 57.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.552 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 63.2 tttp -84.27 -36.67 22.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.585 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.453 ' O ' ' OE1' ' A' ' 69' ' ' GLU . 95.0 mtt180 -68.53 -44.42 74.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.57 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 18.9 tt -76.5 -35.12 25.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.545 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.424 ' O ' ' CB ' ' A' ' 71' ' ' ASP . . . -60.93 -45.41 96.61 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.444 ' O ' ' OD1' ' A' ' 68' ' ' ASP . 68.2 t0 -62.73 -34.36 77.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.792 0.329 . . . . 0.0 110.592 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.543 ' N ' ' OE1' ' A' ' 69' ' ' GLU . 3.0 mp0 -79.57 -58.55 3.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.567 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 2.1 mt -55.1 -43.07 73.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.632 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.424 ' CB ' ' O ' ' A' ' 67' ' ' GLY . 38.9 t70 -65.03 -8.73 17.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.58 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.4 t -96.45 7.07 47.41 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.532 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -93.0 111.54 23.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.617 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 97.8 mmm -68.44 -11.09 59.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.523 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -80.43 -67.21 0.79 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.558 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 49.5 tp -59.87 -40.26 88.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.576 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 11.1 tm0? -61.74 -37.97 86.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.613 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 71.7 ttt180 -68.44 -44.94 73.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.582 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.484 ' SD ' HG23 ' A' ' 182' ' ' THR . 74.3 mtp -54.59 -43.93 72.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.525 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.646 ' O ' HG12 ' A' ' 83' ' ' VAL . 84.6 mt -62.34 -23.73 32.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.648 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -85.97 -18.77 31.69 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.572 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -86.44 -15.23 40.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.63 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.867 HG13 ' O ' ' A' ' 83' ' ' VAL . 7.9 p -89.64 82.76 2.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.62 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.404 ' O ' ' O ' ' A' ' 83' ' ' VAL . 53.9 p-10 -40.97 162.09 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.607 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 70.0 p -119.26 120.5 37.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.598 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -149.3 -0.18 0.49 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.537 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.669 ' O ' HG12 ' A' ' 91' ' ' VAL . 44.5 t -175.68 86.86 0.29 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.512 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.6 ' O ' ' HB2' ' A' ' 92' ' ' PHE . 33.3 Cg_endo -67.38 -16.23 47.37 Favored 'Trans proline' 0 C--N 1.305 -1.734 0 C-N-CA 122.782 2.321 . . . . 0.0 112.028 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 21.0 ptt180 -85.53 -35.33 21.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.449 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -77.91 -57.88 3.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.5 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.669 HG12 ' O ' ' A' ' 87' ' ' SER . 10.0 p -57.3 -51.24 71.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.509 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.655 ' N ' HG13 ' A' ' 91' ' ' VAL . 26.3 t80 -45.93 -52.52 11.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.55 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -67.62 -30.66 70.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.516 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 16.2 tpp180 -71.18 -58.12 3.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.541 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.626 HG23 ' N ' ' A' ' 96' ' ' ALA . 27.2 m -59.29 -48.04 88.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.564 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.626 ' N ' HG23 ' A' ' 95' ' ' VAL . . . -54.99 -27.8 46.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.562 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -81.79 -38.93 24.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.575 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.41 ' O ' ' C ' ' A' ' 99' ' ' MET . 99.2 m-20 -63.22 -38.74 92.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.447 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . 0.41 ' C ' ' O ' ' A' ' 98' ' ' ASP . 64.8 mtt -38.37 -68.84 0.14 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.527 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.579 ' CE1' ' NH2' ' A' ' 109' ' ' ARG . 14.3 p90 -111.3 57.53 0.63 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.598 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.1 t -74.65 -26.84 60.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.585 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . 0.538 ' O ' ' C ' ' A' ' 103' ' ' GLY . 54.9 p-10 -155.58 -18.38 0.11 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.589 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.538 ' C ' ' O ' ' A' ' 102' ' ' ASP . . . -26.34 -80.71 0.01 OUTLIER Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . 0.608 ' O ' ' CG ' ' A' ' 105' ' ' PHE . 9.3 m-20 174.5 34.37 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.791 0.329 . . . . 0.0 110.604 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.608 ' CG ' ' O ' ' A' ' 104' ' ' ASN . 32.3 p90 42.62 29.23 0.15 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.509 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.521 ' O ' ' HB2' ' A' ' 107' ' ' TRP . 27.8 p30 -52.23 -110.41 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.606 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' TRP . . . . . 0.547 ' NE1' HG21 ' A' ' 110' ' ' VAL . 6.8 t90 174.58 -26.19 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.543 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . 0.592 ' O ' HG12 ' A' ' 111' ' ' VAL . . . -50.01 -42.34 39.05 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . 0.579 ' NH2' ' CE1' ' A' ' 100' ' ' PHE . 0.0 OUTLIER -48.01 -26.09 1.65 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.888 0.375 . . . . 0.0 110.607 -179.946 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.547 HG21 ' NE1' ' A' ' 107' ' ' TRP . 29.1 t -52.49 -57.96 3.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.539 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.592 HG12 ' O ' ' A' ' 108' ' ' GLY . 4.8 p -45.31 -46.75 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.509 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.583 ' N ' HG13 ' A' ' 111' ' ' VAL . . . -58.23 -34.71 70.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.56 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.669 ' O ' HD23 ' A' ' 113' ' ' LEU . 2.0 tt -57.07 -46.8 82.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.576 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -57.32 -44.04 83.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.46 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 91.9 t80 -67.87 -43.58 79.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.577 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.441 ' CE2' HG21 ' A' ' 95' ' ' VAL . 91.8 t80 -59.14 -41.76 89.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.564 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.527 ' O ' HG23 ' A' ' 121' ' ' VAL . . . -71.05 -32.52 69.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.529 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 4.9 t -48.62 -44.19 37.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.581 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.812 ' O ' ' CB ' ' A' ' 123' ' ' LYS . 55.0 mmtt -59.95 -43.58 94.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.616 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 50.8 mt -68.23 -31.01 70.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.512 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.716 HG13 HG23 ' A' ' 133' ' ' ILE . 48.9 t -77.45 -53.42 14.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.488 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.47 HD22 ' CB ' ' A' ' 35' ' ' ALA . 70.5 mt -72.76 -41.1 65.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.567 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.812 ' CB ' ' O ' ' A' ' 119' ' ' LYS . 46.1 tptt -58.06 -41.4 83.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.521 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.502 ' O ' ' OG1' ' A' ' 127' ' ' THR . . . -75.26 -21.78 58.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.499 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 49.0 tp -63.4 -32.09 73.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.56 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' CYS . . . . . 0.53 ' SG ' ' O ' ' A' ' 123' ' ' LYS . 0.1 OUTLIER -83.37 -35.58 25.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.594 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.742 ' O ' ' HB2' ' A' ' 128' ' ' LYS . 45.4 p -53.72 -19.42 4.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.533 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . 0.742 ' HB2' ' O ' ' A' ' 127' ' ' THR . 51.8 mttp 87.72 45.37 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.538 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . 0.558 ' CG2' ' OG1' ' A' ' 127' ' ' THR . 0.0 OUTLIER -148.22 87.92 5.58 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.511 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' PRO . . . . . 0.405 ' HA ' HG12 ' A' ' 133' ' ' ILE . 37.9 Cg_endo -69.81 -14.6 36.15 Favored 'Trans proline' 0 C--N 1.306 -1.707 0 C-N-CA 122.719 2.279 . . . . 0.0 112.043 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -64.17 -41.77 96.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.421 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 8.5 mp -60.42 -34.37 73.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.447 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.716 HG23 HG13 ' A' ' 121' ' ' VAL . 21.9 mm -56.63 -50.21 74.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.55 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 84.2 mtp180 -69.09 -34.89 75.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.522 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 7.9 m -67.15 -32.01 72.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.449 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . 0.419 HG21 ' CG2' ' A' ' 121' ' ' VAL . 46.8 mt -69.78 -58.87 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.465 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 42.1 ttm -46.45 -25.41 0.66 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.534 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -68.75 -40.43 85.3 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' TRP . . . . . 0.505 ' CD1' ' N ' ' A' ' 139' ' ' TRP . 12.7 m0 -66.37 -24.45 66.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.813 0.339 . . . . 0.0 110.531 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' THR . . . . . 0.469 ' OG1' ' N ' ' A' ' 141' ' ' LEU . 23.2 p -75.53 -65.84 0.85 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.56 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . 0.469 ' N ' ' OG1' ' A' ' 140' ' ' THR . 52.5 mt -51.74 -33.64 35.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.594 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -65.69 -51.05 62.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.607 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -66.8 -38.85 87.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.57 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.572 HD12 ' HB2' ' A' ' 148' ' ' LEU . 2.0 tp -71.18 -35.43 71.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.552 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 58.9 ttp180 -82.98 -10.69 58.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.561 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -112.07 -4.63 14.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.548 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . 1.153 ' O ' ' N ' ' A' ' 149' ' ' LEU . 42.7 mtp180 -142.14 -110.8 0.13 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.535 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . 0.797 ' H ' HD22 ' A' ' 148' ' ' LEU . 1.0 OUTLIER -15.52 -27.68 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.602 -179.953 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . 1.153 ' N ' ' O ' ' A' ' 147' ' ' ARG . 47.1 tp -49.03 -56.4 9.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.565 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -63.8 -50.75 59.1 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 151' ' ' TRP . . . . . . . . . . . . . 59.7 m95 -66.2 -55.85 14.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.758 0.313 . . . . 0.0 110.548 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 152' ' ' ILE . . . . . 0.695 ' N ' ' O ' ' A' ' 148' ' ' LEU . 10.7 tt -51.37 -34.27 14.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.564 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 46.2 tt0 -67.51 -31.16 71.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.609 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -89.2 -4.44 58.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.538 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -97.57 0.83 48.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.586 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 83.67 24.72 49.01 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 89.82 -160.32 28.65 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 158' ' ' TRP . . . . . 0.408 ' NE1' HD11 ' A' ' 152' ' ' ILE . 53.8 m95 -73.98 -5.64 42.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.795 0.331 . . . . 0.0 110.569 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -60.88 -42.5 98.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.532 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -54.39 -32.16 51.83 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . 0.605 HD23 ' O ' ' A' ' 161' ' ' LEU . 2.6 tt -63.02 -53.94 46.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.804 0.335 . . . . 0.0 110.587 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 56.6 tp -67.09 -31.07 71.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.575 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 5.1 t -66.87 -26.2 66.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.496 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 89.9 t80 -76.7 -42.65 40.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.589 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -71.63 48.05 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.559 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -130.96 39.03 1.84 Allowed Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 167' ' ' THR . . . . . 0.998 ' OG1' ' HD2' ' A' ' 168' ' ' PRO . 0.5 OUTLIER -108.39 179.24 0.89 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 120.899 0.38 . . . . 0.0 110.521 -179.938 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 168' ' ' PRO . . . . . 0.998 ' HD2' ' OG1' ' A' ' 167' ' ' THR . 46.5 Cg_endo -72.29 -145.73 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.719 0 C-N-CA 122.781 2.32 . . . . 0.0 112.054 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 169' ' ' THR . . . . . 0.588 ' C ' ' O ' ' A' ' 168' ' ' PRO . 25.7 p -23.38 101.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.605 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 170' ' ' TRP . . . . . 0.683 ' O ' HG22 ' A' ' 173' ' ' VAL . 29.0 p90 -64.9 -18.78 65.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.596 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 171' ' ' GLN . . . . . 0.54 ' NE2' ' OG1' ' A' ' 172' ' ' THR . 5.4 pp0? -46.83 -14.11 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.582 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 172' ' ' THR . . . . . 0.54 ' OG1' ' NE2' ' A' ' 171' ' ' GLN . 97.9 m -87.03 -29.62 21.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.617 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 173' ' ' VAL . . . . . 0.683 HG22 ' O ' ' A' ' 170' ' ' TRP . 2.0 m -72.07 -45.61 62.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.567 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 174' ' ' THR . . . . . 0.567 ' N ' ' CG2' ' A' ' 173' ' ' VAL . 24.4 m -64.57 -24.91 67.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.576 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 175' ' ' ILE . . . . . 0.518 HG22 ' O ' ' A' ' 172' ' ' THR . 1.8 tt -85.8 -7.42 10.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.536 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 176' ' ' PHE . . . . . 0.489 ' O ' HG12 ' A' ' 180' ' ' VAL . 62.9 t80 -94.68 -60.13 1.77 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.568 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 3.3 m -62.05 -16.73 16.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.576 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 178' ' ' ALA . . . . . 0.618 ' O ' ' OG1' ' A' ' 182' ' ' THR . . . -95.55 -45.9 6.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.614 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -62.39 -26.06 67.57 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 180' ' ' VAL . . . . . 0.7 HG13 ' N ' ' A' ' 181' ' ' LEU . 13.9 p -86.31 -51.73 12.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.811 0.338 . . . . 0.0 110.556 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 181' ' ' LEU . . . . . 0.7 ' N ' HG13 ' A' ' 180' ' ' VAL . 43.1 tp -69.32 -47.94 62.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.569 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 182' ' ' THR . . . . . 0.618 ' OG1' ' O ' ' A' ' 178' ' ' ALA . 26.1 m -50.58 -51.33 49.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.572 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -47.38 -45.72 25.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.574 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 184' ' ' SER . . . . . . . . . . . . . 27.5 t -54.4 -37.85 65.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.644 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 64.5 mt -77.7 -21.69 51.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.527 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 21.3 m -73.26 -44.86 58.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.567 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 187' ' ' ILE . . . . . 0.636 HG23 ' N ' ' A' ' 188' ' ' TRP . 12.5 tt -73.63 -51.7 23.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.572 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 188' ' ' TRP . . . . . 0.636 ' N ' HG23 ' A' ' 187' ' ' ILE . 0.2 OUTLIER -30.74 -56.99 0.21 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.472 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 8.0 mmtt -175.72 128.28 0.24 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.551 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 190' ' ' LYS . . . . . . . . . . . . . 14.5 ptmt -109.87 89.61 3.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.598 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 191' ' ' MET . . . . . . . . . . . . . 84.1 mtp -128.71 136.58 50.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.547 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.813 0 CA-C-O 118.007 -1.441 . . . . 0.0 110.922 -179.969 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.942 ' O ' ' CD1' ' A' ' 19' ' ' ILE . 3.0 p . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.789 0.328 . . . . 0.0 110.391 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.487 ' H ' ' HB2' ' A' ' 15' ' ' SER . 50.6 m -98.69 -17.28 18.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.435 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 64.2 mm-40 -77.67 -48.62 16.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.54 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.481 ' O ' HG23 ' A' ' 22' ' ' THR . 94.5 mt-30 -67.43 -22.58 65.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.567 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.942 ' CD1' ' O ' ' A' ' 15' ' ' SER . 64.5 mt -81.99 -54.76 9.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.614 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 26.5 ttt -53.88 -36.52 62.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.576 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 38.4 mmtm -67.31 -45.96 74.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.53 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.481 HG23 ' O ' ' A' ' 18' ' ' GLN . 66.7 p -72.36 -8.35 54.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.585 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -79.17 -54.1 4.21 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.19 -9.35 59.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.836 0.351 . . . . 0.0 110.536 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.547 ' O ' ' C ' ' A' ' 26' ' ' LEU . 31.6 mt -86.71 -80.45 0.24 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.62 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.547 ' C ' ' O ' ' A' ' 25' ' ' LEU . 44.9 tp -27.11 -65.62 0.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.642 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.415 ' C ' ' N ' ' A' ' 29' ' ' GLY . 64.0 mt -51.32 -57.7 8.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.617 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.408 ' O ' ' NE2' ' A' ' 28' ' ' GLN . 6.4 tm0? -47.65 -17.95 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.557 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.542 ' O ' ' N ' ' A' ' 31' ' ' ILE . . . -88.77 -72.65 1.28 Allowed Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 41.4 t80 -42.28 -18.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.809 0.338 . . . . 0.0 110.571 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.542 ' N ' ' O ' ' A' ' 29' ' ' GLY . 70.7 mt -77.06 -69.13 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.575 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 41.1 tt0 -78.94 30.0 0.2 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.595 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.413 ' H ' ' C ' ' A' ' 31' ' ' ILE . 97.8 m-20 -112.92 -51.05 2.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.606 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 15.7 ptm180 -91.17 -27.02 18.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.62 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.473 ' CB ' HD22 ' A' ' 122' ' ' LEU . . . -99.22 -12.88 20.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.559 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.722 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -179.975 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo . . . . . 0 N--CA 1.49 1.321 0 CA-C-O 120.717 0.216 . . . . 0.0 112.092 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -93.03 -8.66 42.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.616 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.427 ' HA ' HD22 ' A' ' 45' ' ' LEU . 0.2 OUTLIER -107.19 66.19 0.67 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.638 179.95 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -74.27 137.97 43.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.579 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.461 ' HA ' HD12 ' A' ' 47' ' ' LEU . 22.7 tp . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.608 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 43.2 p-10 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.804 0.335 . . . . 0.0 110.546 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -81.39 -0.95 43.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.542 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 68.8 m -61.38 -39.85 92.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.543 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 73.7 p -83.37 -33.8 25.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.529 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 64.4 tttp -49.87 -54.73 17.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.594 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 29.9 ttpt -59.81 -48.07 83.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.601 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.62 HD23 ' O ' ' A' ' 59' ' ' LEU . 0.8 OUTLIER -61.6 -26.13 67.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.601 179.916 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.5 t -71.57 -35.24 70.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.529 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.466 ' CD ' ' NH2' ' A' ' 65' ' ' ARG . 43.6 tt0 -64.18 -31.49 72.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.566 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.417 ' O ' HG22 ' A' ' 66' ' ' ILE . 99.7 m -64.42 -37.76 88.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.548 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.472 HD12 ' N ' ' A' ' 63' ' ' LEU . 9.6 mp -75.47 -24.54 56.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.543 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -84.31 -36.58 22.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.637 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.466 ' NH2' ' CD ' ' A' ' 61' ' ' GLU . 99.4 mtt180 -68.54 -44.56 74.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.528 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.417 HG22 ' O ' ' A' ' 62' ' ' CYS . 20.5 tt -76.37 -35.11 26.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.544 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.425 ' O ' ' CB ' ' A' ' 71' ' ' ASP . . . -61.03 -45.46 96.56 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -62.68 -34.32 76.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.84 0.352 . . . . 0.0 110.601 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 50.6 tp10 -79.64 -58.49 3.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.557 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.21 -43.0 74.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.526 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.425 ' CB ' ' O ' ' A' ' 67' ' ' GLY . 54.7 t0 -65.09 -8.77 18.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.56 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 7.4 t -96.41 7.13 47.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.525 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -92.96 111.48 23.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.566 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 96.8 mmm -68.37 -11.1 59.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.592 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -80.36 -67.28 0.78 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.571 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.6 tp -59.82 -40.37 88.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.523 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 8.3 tm0? -61.74 -37.92 86.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.588 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 72.4 ttt180 -68.57 -44.9 73.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.548 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.432 ' SD ' HG23 ' A' ' 182' ' ' THR . 64.0 mtp -54.49 -43.91 72.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.584 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.643 ' O ' HG12 ' A' ' 83' ' ' VAL . 86.2 mt -62.35 -23.72 32.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.598 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -85.95 -18.81 31.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.627 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -86.37 -15.46 40.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.62 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.874 HG13 ' O ' ' A' ' 83' ' ' VAL . 8.1 p -89.34 82.75 2.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.583 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.423 ' O ' ' O ' ' A' ' 83' ' ' VAL . 56.5 p-10 -40.58 162.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.513 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 75.0 p -119.64 120.01 35.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.659 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -148.95 -0.22 0.52 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.488 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.686 ' O ' HG12 ' A' ' 91' ' ' VAL . 40.4 t -175.82 88.25 0.29 Allowed Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.458 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.5 ' O ' ' CB ' ' A' ' 92' ' ' PHE . 36.7 Cg_endo -68.79 -15.64 40.87 Favored 'Trans proline' 0 C--N 1.306 -1.684 0 C-N-CA 122.793 2.328 . . . . 0.0 112.092 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 15.0 ptt-85 -86.0 -34.19 20.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.551 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -79.3 -57.44 3.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.602 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.686 HG12 ' O ' ' A' ' 87' ' ' SER . 9.7 p -57.51 -51.19 72.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.527 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.654 ' N ' HG13 ' A' ' 91' ' ' VAL . 85.3 t80 -46.17 -52.16 12.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.479 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -67.84 -30.47 69.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.6 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 16.2 tpp180 -71.46 -57.97 3.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.581 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.625 HG23 ' N ' ' A' ' 96' ' ' ALA . 27.5 m -59.34 -48.07 88.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.534 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.625 ' N ' HG23 ' A' ' 95' ' ' VAL . . . -55.15 -27.65 47.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.522 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -81.85 -38.92 24.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.561 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 99' ' ' MET . 99.5 m-20 -63.17 -38.68 92.13 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.53 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . 0.559 ' HB2' HH21 ' A' ' 109' ' ' ARG . 64.2 mtt -38.42 -68.79 0.14 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.605 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.601 ' CD2' ' O ' ' A' ' 100' ' ' PHE . 16.8 p90 -111.37 57.6 0.63 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.535 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.1 t -74.7 -26.86 60.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.557 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . 0.532 ' O ' ' C ' ' A' ' 103' ' ' GLY . 55.1 p-10 -155.57 -18.39 0.11 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.533 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.532 ' C ' ' O ' ' A' ' 102' ' ' ASP . . . -26.32 -80.65 0.01 OUTLIER Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . 0.608 ' O ' ' CG ' ' A' ' 105' ' ' PHE . 10.9 m-20 174.5 34.38 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.785 0.326 . . . . 0.0 110.514 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.608 ' CG ' ' O ' ' A' ' 104' ' ' ASN . 31.8 p90 42.64 29.07 0.14 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.564 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.519 ' O ' ' HB2' ' A' ' 107' ' ' TRP . 28.4 p30 -52.12 -110.44 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.615 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' TRP . . . . . 0.543 ' NE1' HG21 ' A' ' 110' ' ' VAL . 6.5 t90 174.64 -26.2 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.549 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . 0.598 ' O ' HG12 ' A' ' 111' ' ' VAL . . . -50.11 -42.07 39.4 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . 0.559 HH21 ' HB2' ' A' ' 99' ' ' MET . 0.0 OUTLIER -48.24 -26.04 1.79 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.756 0.312 . . . . 0.0 110.511 -179.947 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.543 HG21 ' NE1' ' A' ' 107' ' ' TRP . 36.0 t -52.52 -57.94 3.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.536 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.598 HG12 ' O ' ' A' ' 108' ' ' GLY . 4.8 p -45.29 -46.66 3.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.577 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.581 ' N ' HG13 ' A' ' 111' ' ' VAL . . . -58.11 -35.18 71.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.514 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.663 ' O ' HD23 ' A' ' 113' ' ' LEU . 2.0 tt -56.86 -46.7 81.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.566 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . 0.45 ' CZ ' ' CG1' ' A' ' 110' ' ' VAL . 9.9 m-85 -57.17 -44.1 83.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.529 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 92.9 t80 -68.07 -43.62 78.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.534 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.451 ' CE2' HG21 ' A' ' 95' ' ' VAL . 93.2 t80 -59.05 -41.81 88.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.541 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.508 ' O ' HG23 ' A' ' 121' ' ' VAL . . . -71.04 -32.5 69.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.52 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 5.6 t -48.64 -44.27 37.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.56 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.808 ' O ' ' CB ' ' A' ' 123' ' ' LYS . 56.4 mmtt -59.85 -43.68 94.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.566 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 52.2 mt -68.19 -30.95 70.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.582 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.732 HG13 HG23 ' A' ' 133' ' ' ILE . 54.0 t -77.43 -53.14 15.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.638 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.473 HD22 ' CB ' ' A' ' 35' ' ' ALA . 74.0 mt -73.25 -40.81 64.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.517 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.808 ' CB ' ' O ' ' A' ' 119' ' ' LYS . 14.5 tmtt? -58.22 -41.16 83.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.543 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -75.71 -20.81 58.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.607 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 5.0 tp -64.15 -30.87 71.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.583 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' CYS . . . . . 0.467 ' SG ' ' N ' ' A' ' 127' ' ' THR . 14.6 p -84.22 -35.96 23.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.616 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.551 ' O ' ' CB ' ' A' ' 128' ' ' LYS . 52.3 m -54.26 -16.19 2.0 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.564 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . 0.551 ' CB ' ' O ' ' A' ' 127' ' ' THR . 44.1 tttp 84.46 46.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.555 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . 0.492 HG23 ' O ' ' A' ' 129' ' ' VAL . 15.5 m -148.18 88.7 5.38 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.58 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -71.17 -14.48 31.68 Favored 'Trans proline' 0 C--N 1.304 -1.769 0 C-N-CA 122.793 2.329 . . . . 0.0 112.048 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -64.59 -41.02 96.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.533 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 9.2 mp -61.08 -33.99 74.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.528 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.732 HG23 HG13 ' A' ' 121' ' ' VAL . 21.4 mm -56.99 -49.98 77.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.48 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 82.6 mtp180 -69.33 -34.68 74.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.493 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 7.2 m -67.34 -31.96 72.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.453 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . 0.415 HG21 ' CG2' ' A' ' 121' ' ' VAL . 46.6 mt -69.71 -58.7 4.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.571 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . 0.492 ' CE ' HD11 ' A' ' 31' ' ' ILE . 28.5 mmt -46.62 -25.53 0.73 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.493 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -68.61 -40.5 85.87 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' TRP . . . . . 0.519 ' CD1' ' N ' ' A' ' 139' ' ' TRP . 11.3 m0 -66.31 -24.53 66.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.791 0.329 . . . . 0.0 110.478 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' THR . . . . . 0.478 ' OG1' ' N ' ' A' ' 141' ' ' LEU . 20.4 p -75.48 -65.84 0.85 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.556 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . 0.478 ' N ' ' OG1' ' A' ' 140' ' ' THR . 52.9 mt -51.78 -33.58 35.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.561 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -65.81 -51.02 62.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.532 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . 0.432 ' O ' ' HB2' ' A' ' 147' ' ' ARG . 5.6 t80 -66.8 -38.93 87.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.57 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.566 HD12 ' HB2' ' A' ' 148' ' ' LEU . 1.7 tp -71.01 -35.6 72.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.532 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 58.8 ttp180 -82.96 -10.63 58.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.593 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 69.2 mm-40 -112.05 -4.59 14.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.602 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . 1.152 ' O ' ' N ' ' A' ' 149' ' ' LEU . 11.9 mtp180 -142.19 -110.89 0.13 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.576 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . 0.812 ' H ' HD22 ' A' ' 148' ' ' LEU . 1.0 OUTLIER -15.44 -27.74 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.553 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . 1.152 ' N ' ' O ' ' A' ' 147' ' ' ARG . 1.1 tt -49.14 -56.23 9.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.539 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -63.92 -50.52 60.4 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 151' ' ' TRP . . . . . . . . . . . . . 99.2 m95 -66.47 -55.68 14.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.785 0.326 . . . . 0.0 110.552 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 152' ' ' ILE . . . . . 0.697 ' N ' ' O ' ' A' ' 148' ' ' LEU . 10.3 tt -51.41 -34.31 15.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.538 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . 0.419 ' CD ' ' CD2' ' A' ' 149' ' ' LEU . 6.9 mt-30 -67.42 -31.4 71.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.591 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -88.81 -4.7 58.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.62 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -97.46 0.84 48.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.581 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 83.56 24.72 49.48 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 89.88 -160.4 28.64 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.816 -0.914 . . . . 0.0 110.816 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 158' ' ' TRP . . . . . 0.429 ' CD1' HD11 ' A' ' 152' ' ' ILE . 39.4 m95 -73.95 -5.59 42.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.888 0.375 . . . . 0.0 110.651 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 67.4 t0 -60.93 -42.41 98.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.619 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -54.41 -32.26 52.07 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . 0.579 HD23 ' O ' ' A' ' 161' ' ' LEU . 2.1 tt -62.85 -54.0 45.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.864 0.364 . . . . 0.0 110.624 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 51.2 tp -67.12 -31.06 71.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.52 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 5.0 t -66.81 -26.37 66.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.537 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 93.9 t80 -76.46 -42.67 42.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.588 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -71.7 47.92 0.14 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.599 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -130.8 39.12 1.83 Allowed Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 167' ' ' THR . . . . . 1.063 ' OG1' ' HD2' ' A' ' 168' ' ' PRO . 0.6 OUTLIER -108.61 -179.67 0.72 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 120.912 0.387 . . . . 0.0 110.567 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 168' ' ' PRO . . . . . 1.063 ' HD2' ' OG1' ' A' ' 167' ' ' THR . 55.2 Cg_endo -73.73 -146.35 0.03 OUTLIER 'Trans proline' 0 C--N 1.305 -1.733 0 C-N-CA 122.811 2.34 . . . . 0.0 112.12 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 169' ' ' THR . . . . . 0.595 ' C ' ' O ' ' A' ' 168' ' ' PRO . 21.4 p -22.29 101.03 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.618 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 170' ' ' TRP . . . . . 0.688 ' O ' HG22 ' A' ' 173' ' ' VAL . 27.3 p90 -64.69 -18.62 65.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.53 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 171' ' ' GLN . . . . . 0.54 ' NE2' ' OG1' ' A' ' 172' ' ' THR . 5.4 pp0? -47.26 -14.11 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.53 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 172' ' ' THR . . . . . 0.54 ' OG1' ' NE2' ' A' ' 171' ' ' GLN . 4.6 m -86.92 -29.54 22.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.554 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 173' ' ' VAL . . . . . 0.688 HG22 ' O ' ' A' ' 170' ' ' TRP . 2.0 m -72.15 -45.7 61.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.462 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 174' ' ' THR . . . . . 0.566 ' N ' ' CG2' ' A' ' 173' ' ' VAL . 25.0 m -64.53 -24.94 67.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.554 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 175' ' ' ILE . . . . . 0.522 HG22 ' O ' ' A' ' 172' ' ' THR . 1.7 tt -85.77 -7.43 10.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.587 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 176' ' ' PHE . . . . . 0.489 ' O ' HG12 ' A' ' 180' ' ' VAL . 63.4 t80 -94.65 -60.14 1.77 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.529 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 3.2 m -62.05 -16.72 16.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.553 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 178' ' ' ALA . . . . . 0.621 ' O ' ' OG1' ' A' ' 182' ' ' THR . . . -95.55 -45.93 6.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.587 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -62.29 -26.16 67.51 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 180' ' ' VAL . . . . . 0.699 HG13 ' N ' ' A' ' 181' ' ' LEU . 14.0 p -86.32 -51.66 12.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.84 0.352 . . . . 0.0 110.588 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 181' ' ' LEU . . . . . 0.699 ' N ' HG13 ' A' ' 180' ' ' VAL . 45.9 tp -69.35 -47.97 62.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.549 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 182' ' ' THR . . . . . 0.621 ' OG1' ' O ' ' A' ' 178' ' ' ALA . 26.3 m -50.5 -51.4 47.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.536 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -47.33 -45.74 24.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.558 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 184' ' ' SER . . . . . . . . . . . . . 27.1 t -54.37 -37.92 65.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.595 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 58.3 mt -77.66 -21.69 51.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.591 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 21.3 m -73.21 -44.87 58.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.571 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 187' ' ' ILE . . . . . 0.636 HG23 ' N ' ' A' ' 188' ' ' TRP . 12.3 tt -73.66 -51.59 24.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.57 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 188' ' ' TRP . . . . . 0.636 ' N ' HG23 ' A' ' 187' ' ' ILE . 0.2 OUTLIER -30.8 -56.9 0.22 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.513 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 7.8 mmtt -175.8 128.24 0.24 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.585 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 190' ' ' LYS . . . . . . . . . . . . . 17.7 pttm -109.87 89.61 3.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.545 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 191' ' ' MET . . . . . . . . . . . . . 82.3 mtp -128.6 136.55 50.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.559 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.738 0 CA-C-O 117.968 -1.462 . . . . 0.0 110.982 179.941 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 88.6 p . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.814 0.34 . . . . 0.0 110.528 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 70.0 m -74.88 -6.95 51.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.548 -151.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -92.85 -47.3 7.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.572 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 44.4 tp60 -64.09 -27.93 69.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.566 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 85.2 mt -79.04 -53.26 13.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.483 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.456 ' C ' ' SD ' ' A' ' 20' ' ' MET . 2.1 tmt? -55.65 -35.85 66.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.466 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.443 ' O ' ' HB2' ' A' ' 25' ' ' LEU . 16.9 ttmm -68.08 -45.11 74.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.48 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.437 HG22 ' O ' ' A' ' 22' ' ' THR . 37.7 m -72.82 -9.37 58.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.572 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -78.57 -53.83 4.52 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.568 ' O ' ' NE2' ' A' ' 28' ' ' GLN . . . -78.14 -9.47 59.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.885 0.374 . . . . 0.0 110.453 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.551 ' O ' ' C ' ' A' ' 26' ' ' LEU . 1.7 mp -86.96 -80.4 0.25 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.482 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.551 ' C ' ' O ' ' A' ' 25' ' ' LEU . 1.2 tt -27.11 -65.61 0.07 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.539 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.841 ' O ' HG13 ' A' ' 31' ' ' ILE . 0.4 OUTLIER -51.38 -58.34 6.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.541 179.922 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.64 ' HA ' HD12 ' A' ' 31' ' ' ILE . 0.4 OUTLIER -47.0 -17.44 0.05 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.427 179.922 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.564 ' O ' ' N ' ' A' ' 31' ' ' ILE . . . -89.45 -73.39 1.28 Allowed Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.871 -0.892 . . . . 0.0 110.871 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 44.4 t80 -41.59 -18.77 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.846 0.355 . . . . 0.0 110.48 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.841 HG13 ' O ' ' A' ' 27' ' ' LEU . 74.7 mt -76.96 -69.95 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.47 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.687 ' CB ' HD13 ' A' ' 45' ' ' LEU . 16.7 pt20 -78.41 30.48 0.18 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.567 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.423 ' H ' ' C ' ' A' ' 31' ' ' ILE . 67.2 t0 -113.41 -51.13 2.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.517 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 -91.32 -26.92 18.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.639 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.474 ' CB ' HD22 ' A' ' 122' ' ' LEU . . . -98.89 -13.1 20.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.601 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.664 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.568 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo . . . . . 0 N--CA 1.491 1.365 0 CA-C-O 120.801 0.25 . . . . 0.0 112.09 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -84.21 -12.58 54.58 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.526 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.745 ' CD2' HG22 ' A' ' 31' ' ' ILE . 0.0 OUTLIER -97.45 65.25 1.92 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.579 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -76.95 135.96 38.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.555 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.589 HD23 ' N ' ' A' ' 47' ' ' LEU . 1.4 pt? . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.57 179.152 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.777 0.323 . . . . 0.0 110.575 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -86.04 -1.98 57.88 Favored 'General case' 0 C--N 1.347 0.477 0 O-C-N 120.018 -1.676 . . . . 0.0 110.497 -176.609 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 70.5 m -59.23 -39.99 84.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.562 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 74.3 p -81.61 -34.02 31.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.533 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 58.4 mmtt -50.18 -54.89 17.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.553 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 30.3 ttpt -59.84 -47.73 84.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.567 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.3 mt -61.88 -26.53 68.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.64 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.6 t -71.15 -35.4 71.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.546 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -63.81 -31.88 73.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.525 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.431 ' O ' HG22 ' A' ' 66' ' ' ILE . 94.5 m -64.07 -37.88 89.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.586 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.412 HD12 ' N ' ' A' ' 63' ' ' LEU . 7.6 mp -75.24 -24.56 57.69 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.597 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -84.4 -36.47 22.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.572 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.44 ' O ' ' OE2' ' A' ' 69' ' ' GLU . 99.7 mtt180 -68.76 -44.35 73.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.473 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.431 HG22 ' O ' ' A' ' 62' ' ' CYS . 20.5 tt -76.62 -35.04 24.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.501 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.43 ' O ' ' CB ' ' A' ' 71' ' ' ASP . . . -61.03 -45.43 96.63 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.951 -0.859 . . . . 0.0 110.951 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 47.6 t0 -62.86 -34.18 76.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.792 0.33 . . . . 0.0 110.591 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.544 ' N ' ' OE1' ' A' ' 69' ' ' GLU . 0.3 OUTLIER -79.62 -58.84 2.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.525 179.924 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -54.81 -43.27 72.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.481 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.43 ' CB ' ' O ' ' A' ' 67' ' ' GLY . 38.9 t70 -64.97 -8.61 16.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.623 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.7 t -96.65 7.31 46.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.499 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -93.27 111.28 22.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.614 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 8.7 ptm -67.92 -11.73 59.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.582 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 80.3 tt0 -79.93 -67.28 0.78 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.595 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 8.1 tp -59.8 -40.29 87.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.601 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.717 HE22 ' HZ2' ' A' ' 119' ' ' LYS . 69.4 tp60 -61.92 -37.77 85.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.477 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 75.1 ttt180 -68.66 -44.73 73.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.517 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.478 ' SD ' HG23 ' A' ' 182' ' ' THR . 73.4 mtp -54.69 -43.94 72.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.566 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.651 ' O ' HG12 ' A' ' 83' ' ' VAL . 83.7 mt -62.18 -24.16 33.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.637 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -85.34 -19.03 32.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.538 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -86.4 -15.5 40.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.593 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.852 HG13 ' O ' ' A' ' 83' ' ' VAL . 8.1 p -89.61 84.39 2.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.56 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 55.0 p-10 -44.52 159.97 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.628 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.444 ' O ' ' OD1' ' A' ' 86' ' ' ASP . 66.9 p -116.56 127.69 54.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.586 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.444 ' OD1' ' O ' ' A' ' 85' ' ' THR . 69.1 m-20 -156.86 1.7 0.13 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.63 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.456 ' O ' HG12 ' A' ' 91' ' ' VAL . 37.9 t -175.87 71.55 0.26 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.603 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.582 ' O ' ' CB ' ' A' ' 92' ' ' PHE . 2.7 Cg_endo -49.96 -27.44 16.37 Favored 'Trans proline' 0 C--N 1.305 -1.755 0 C-N-CA 122.767 2.312 . . . . 0.0 111.994 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.502 ' CG ' ' N ' ' A' ' 90' ' ' GLU . 34.5 ptt-85 -75.27 -44.31 46.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.592 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.502 ' N ' ' CG ' ' A' ' 89' ' ' ARG . 94.2 mt-10 -67.02 -62.85 1.22 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.548 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.705 HG13 ' N ' ' A' ' 92' ' ' PHE . 10.5 p -52.97 -54.53 16.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.518 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.705 ' N ' HG13 ' A' ' 91' ' ' VAL . 82.8 t80 -42.67 -55.83 3.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.589 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -64.73 -31.71 73.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.554 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 11.6 tpp85 -69.9 -59.09 3.14 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.495 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.638 HG23 ' N ' ' A' ' 96' ' ' ALA . 27.5 m -58.54 -48.71 84.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.542 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.638 ' N ' HG23 ' A' ' 95' ' ' VAL . . . -54.18 -27.74 35.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.588 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -81.93 -39.19 24.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.547 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.413 ' O ' ' C ' ' A' ' 99' ' ' MET . 99.8 m-20 -62.78 -38.97 92.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.612 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . 0.544 ' HB2' HH21 ' A' ' 109' ' ' ARG . 63.5 mtt -37.97 -69.28 0.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.568 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.604 ' CD2' ' O ' ' A' ' 100' ' ' PHE . 16.3 p90 -111.07 57.84 0.62 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.521 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.2 t -74.91 -26.88 59.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.563 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . 0.538 ' O ' ' C ' ' A' ' 103' ' ' GLY . 55.3 p-10 -155.55 -18.47 0.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.547 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.538 ' C ' ' O ' ' A' ' 102' ' ' ASP . . . -26.19 -80.76 0.01 OUTLIER Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . 0.61 ' O ' ' CG ' ' A' ' 105' ' ' PHE . 8.3 m-20 174.48 34.21 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.764 0.316 . . . . 0.0 110.523 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.61 ' CG ' ' O ' ' A' ' 104' ' ' ASN . 28.4 p90 42.72 29.5 0.17 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.554 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.531 ' O ' ' HB2' ' A' ' 107' ' ' TRP . 28.5 p30 -52.29 -110.21 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.53 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' TRP . . . . . 0.531 ' HB2' ' O ' ' A' ' 106' ' ' ASN . 6.7 t90 174.25 -26.14 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.505 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . 0.587 ' O ' HG12 ' A' ' 111' ' ' VAL . . . -50.37 -42.07 41.58 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . 0.544 HH21 ' HB2' ' A' ' 99' ' ' MET . 0.0 OUTLIER -48.31 -25.36 1.53 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.808 0.337 . . . . 0.0 110.586 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.52 HG21 ' NE1' ' A' ' 107' ' ' TRP . 36.5 t -53.3 -57.61 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.566 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.587 HG12 ' O ' ' A' ' 108' ' ' GLY . 4.7 p -45.51 -46.82 4.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.567 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.581 ' N ' HG13 ' A' ' 111' ' ' VAL . . . -58.28 -34.1 70.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.534 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.697 ' O ' HD23 ' A' ' 113' ' ' LEU . 2.2 tt -57.87 -46.01 85.47 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.519 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . 0.411 ' CD2' ' HG ' ' A' ' 27' ' ' LEU . 3.2 m-85 -58.02 -43.4 86.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.58 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 89.8 t80 -68.76 -42.19 77.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.538 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.455 ' CE2' HG21 ' A' ' 95' ' ' VAL . 92.3 t80 -60.23 -41.31 92.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.551 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.551 ' O ' HG23 ' A' ' 121' ' ' VAL . . . -72.03 -31.88 66.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.465 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 5.8 t -49.28 -42.62 41.57 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.519 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.818 ' O ' ' CB ' ' A' ' 123' ' ' LYS . 57.3 mmtt -61.87 -43.45 98.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.546 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 50.2 mt -68.44 -28.86 67.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.377 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.63 HG13 HG23 ' A' ' 133' ' ' ILE . 59.3 t -79.12 -54.1 12.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.385 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.474 HD22 ' CB ' ' A' ' 35' ' ' ALA . 68.5 mt -72.48 -40.91 66.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.482 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.818 ' CB ' ' O ' ' A' ' 119' ' ' LYS . 19.8 ttpp -58.13 -40.61 81.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.418 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.478 ' O ' ' OG1' ' A' ' 127' ' ' THR . . . -76.58 -19.83 57.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.458 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 5.6 tt -65.43 -31.03 71.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.575 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' CYS . . . . . 0.465 ' SG ' ' N ' ' A' ' 127' ' ' THR . 1.6 p -84.92 -33.54 22.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.545 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.664 ' O ' ' HB2' ' A' ' 128' ' ' LYS . 35.8 p -56.23 -21.69 25.0 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.616 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . 0.664 ' HB2' ' O ' ' A' ' 127' ' ' THR . 17.4 mtpp 86.39 53.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.602 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . 0.417 HG13 ' O ' ' A' ' 128' ' ' LYS . 0.1 OUTLIER -154.55 69.65 5.94 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.608 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' PRO . . . . . 0.406 ' HA ' HG12 ' A' ' 133' ' ' ILE . 1.7 Cg_endo -48.42 -27.91 10.86 Favored 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 122.87 2.38 . . . . 0.0 112.119 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . 0.531 ' O ' HG23 ' A' ' 135' ' ' THR . 80.9 tt0 -51.81 -52.05 51.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.639 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.528 ' HA ' ' OG1' ' A' ' 135' ' ' THR . 8.6 mp -50.32 -35.88 29.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.618 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.63 HG23 HG13 ' A' ' 121' ' ' VAL . 22.5 mm -56.5 -51.0 70.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.785 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 93.9 mtt180 -68.89 -35.23 76.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.604 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . 0.531 HG23 ' O ' ' A' ' 131' ' ' GLU . 69.1 p -66.21 -32.05 73.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.652 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . 0.407 HG21 ' CG2' ' A' ' 121' ' ' VAL . 47.2 mt -69.51 -59.09 3.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.591 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 78.6 mtm -46.06 -25.75 0.63 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.632 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -68.31 -40.73 87.17 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' TRP . . . . . 0.563 ' CD1' ' N ' ' A' ' 139' ' ' TRP . 9.3 m0 -66.12 -24.57 66.71 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.766 0.317 . . . . 0.0 110.599 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' THR . . . . . 0.471 ' OG1' ' N ' ' A' ' 141' ' ' LEU . 22.9 p -75.42 -65.66 0.86 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.515 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . 0.471 ' N ' ' OG1' ' A' ' 140' ' ' THR . 53.8 mt -51.91 -33.58 37.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.581 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -65.81 -51.0 62.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.52 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . 0.413 ' O ' ' HB2' ' A' ' 147' ' ' ARG . 5.2 t80 -66.88 -38.91 87.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.543 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.564 HD12 ' HB2' ' A' ' 148' ' ' LEU . 2.0 tp -70.94 -35.57 72.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.6 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 59.0 ttp180 -82.74 -11.14 58.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.537 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -111.67 -4.83 14.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.56 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . 1.146 ' O ' ' N ' ' A' ' 149' ' ' LEU . 12.1 mtp180 -141.74 -110.56 0.13 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.554 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . 0.795 ' H ' HD22 ' A' ' 148' ' ' LEU . 1.0 OUTLIER -16.05 -27.01 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.612 -179.896 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . 1.146 ' N ' ' O ' ' A' ' 147' ' ' ARG . 48.5 tp -49.72 -55.95 12.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.545 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -64.11 -50.71 58.63 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 151' ' ' TRP . . . . . . . . . . . . . 99.6 m95 -66.11 -55.98 13.73 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.772 0.32 . . . . 0.0 110.501 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 152' ' ' ILE . . . . . 0.685 ' N ' ' O ' ' A' ' 148' ' ' LEU . 10.8 tt -51.32 -34.03 14.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.453 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 47.4 tt0 -67.63 -31.29 71.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.56 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -89.23 -4.01 58.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.488 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -98.12 0.97 47.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.623 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 83.42 24.36 51.17 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 89.89 -160.02 28.34 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . 59.1 m95 -74.22 -5.47 42.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.82 0.343 . . . . 0.0 110.556 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -61.09 -42.47 98.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.518 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -54.69 -31.54 53.46 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . 0.588 HD23 ' O ' ' A' ' 161' ' ' LEU . 2.1 tt -63.55 -53.49 50.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.812 0.339 . . . . 0.0 110.611 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 51.6 tp -67.95 -30.28 69.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.55 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 5.5 t -68.11 -23.76 64.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.629 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 91.1 t80 -80.09 -41.02 26.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.634 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -71.49 50.68 0.17 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.57 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -135.9 42.64 1.31 Allowed Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 167' ' ' THR . . . . . 0.643 ' O ' ' O ' ' A' ' 168' ' ' PRO . 0.5 OUTLIER -111.57 161.57 24.88 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 120.883 0.373 . . . . 0.0 110.534 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 168' ' ' PRO . . . . . 0.643 ' O ' ' O ' ' A' ' 167' ' ' THR . 1.4 Cg_endo -47.72 -136.62 0.0 OUTLIER 'Trans proline' 0 C--N 1.306 -1.707 0 C-N-CA 122.752 2.301 . . . . 0.0 112.074 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 169' ' ' THR . . . . . 0.468 ' H ' HG23 ' A' ' 169' ' ' THR . 10.6 p -38.43 114.15 0.35 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.613 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 170' ' ' TRP . . . . . 0.718 ' O ' HG22 ' A' ' 173' ' ' VAL . 8.3 p90 -71.79 -18.12 62.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.576 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 171' ' ' GLN . . . . . 0.534 ' NE2' ' OG1' ' A' ' 172' ' ' THR . 5.4 pp0? -47.31 -15.89 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.565 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 172' ' ' THR . . . . . 0.534 ' OG1' ' NE2' ' A' ' 171' ' ' GLN . 4.8 m -85.26 -29.45 24.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.543 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 173' ' ' VAL . . . . . 0.718 HG22 ' O ' ' A' ' 170' ' ' TRP . 2.0 m -72.36 -45.6 59.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.614 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 174' ' ' THR . . . . . 0.57 ' N ' ' CG2' ' A' ' 173' ' ' VAL . 24.9 m -64.5 -25.12 67.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.594 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 175' ' ' ILE . . . . . 0.554 ' O ' HG22 ' A' ' 175' ' ' ILE . 90.7 mt -85.59 -7.5 10.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.608 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 176' ' ' PHE . . . . . 0.486 ' O ' HG12 ' A' ' 180' ' ' VAL . 63.9 t80 -94.66 -59.91 1.82 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.536 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 3.1 m -62.35 -16.52 16.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.566 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 178' ' ' ALA . . . . . 0.624 ' O ' ' OG1' ' A' ' 182' ' ' THR . . . -95.77 -45.8 6.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.546 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -62.66 -25.52 67.45 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.909 -0.877 . . . . 0.0 110.909 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 180' ' ' VAL . . . . . 0.696 HG13 ' N ' ' A' ' 181' ' ' LEU . 13.7 p -86.78 -51.51 12.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.782 0.325 . . . . 0.0 110.526 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 181' ' ' LEU . . . . . 0.696 ' N ' HG13 ' A' ' 180' ' ' VAL . 43.3 tp -69.64 -47.82 62.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.626 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 182' ' ' THR . . . . . 0.624 ' OG1' ' O ' ' A' ' 178' ' ' ALA . 25.9 m -50.51 -51.62 45.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.529 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -47.28 -45.74 24.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.498 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 184' ' ' SER . . . . . . . . . . . . . 28.2 t -54.39 -37.77 65.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.557 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 63.9 mt -77.72 -21.65 51.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.515 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 21.2 m -73.27 -44.98 58.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.541 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 187' ' ' ILE . . . . . 0.644 HG23 ' N ' ' A' ' 188' ' ' TRP . 12.6 tt -73.59 -51.86 23.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.586 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 188' ' ' TRP . . . . . 0.644 ' N ' HG23 ' A' ' 187' ' ' ILE . 0.2 OUTLIER -30.39 -57.33 0.2 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.542 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 8.0 mmtt -175.4 128.42 0.27 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.654 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 190' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.87 89.61 3.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.5 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 191' ' ' MET . . . . . . . . . . . . . 92.6 mtp -128.67 136.51 50.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.573 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.809 0 CA-C-O 117.904 -1.498 . . . . 0.0 110.94 179.96 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.95 ' O ' HD12 ' A' ' 19' ' ' ILE . 1.3 p . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.751 0.31 . . . . 0.0 110.542 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 36.2 m -92.31 -21.3 20.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.617 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.1 mm-40 -93.67 -51.12 5.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.612 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -52.33 -36.99 54.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.656 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.95 HD12 ' O ' ' A' ' 15' ' ' SER . 81.8 mt -71.81 -49.17 47.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.654 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.445 ' C ' ' SD ' ' A' ' 20' ' ' MET . 2.1 tmt? -59.25 -36.4 75.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.807 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -68.04 -42.78 80.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.747 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 84.7 m -73.03 -16.46 61.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.665 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -72.31 -54.54 7.72 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.74 -11.04 59.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.733 0.302 . . . . 0.0 110.67 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.666 HD23 ' C ' ' A' ' 25' ' ' LEU . 5.9 tt -86.49 -77.19 0.32 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.624 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.518 ' C ' ' O ' ' A' ' 25' ' ' LEU . 49.4 tp -30.37 -63.88 0.13 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.598 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.7 tp -53.02 -55.86 20.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.592 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.426 ' O ' ' OE1' ' A' ' 28' ' ' GLN . 7.5 tp-100 -49.21 -17.99 0.3 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.569 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.524 ' O ' ' N ' ' A' ' 31' ' ' ILE . . . -88.6 -72.03 1.27 Allowed Glycine 0 CA--C 1.523 0.578 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -42.7 -18.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.75 0.31 . . . . 0.0 110.506 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.524 ' N ' ' O ' ' A' ' 29' ' ' GLY . 87.0 mt -77.02 -68.76 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.577 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -79.17 29.8 0.22 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.572 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.41 ' H ' ' C ' ' A' ' 31' ' ' ILE . 68.4 t0 -112.84 -50.95 2.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.54 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 -91.31 -26.83 18.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.582 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.47 ' CB ' HD22 ' A' ' 122' ' ' LEU . . . -99.17 -12.98 19.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.574 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.682 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.951 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo . . . . . 0 N--CA 1.491 1.366 0 CA-C-O 120.792 0.247 . . . . 0.0 112.124 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.479 ' CD ' HD11 ' A' ' 125' ' ' LEU . 28.7 mt-10 -94.06 -10.76 32.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.511 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 1.031 ' N ' HD22 ' A' ' 45' ' ' LEU . 0.4 OUTLIER -102.73 64.62 0.88 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.544 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.801 ' O ' ' CB ' ' A' ' 47' ' ' LEU . . . -71.95 137.57 47.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.573 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.801 ' CB ' ' O ' ' A' ' 46' ' ' ALA . 35.2 tp . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.57 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.437 ' OD1' ' N ' ' A' ' 54' ' ' ALA . 41.6 t0 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.808 0.337 . . . . 0.0 110.534 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.437 ' N ' ' OD1' ' A' ' 53' ' ' ASP . . . -82.48 -3.57 56.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.554 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 38.7 t -57.63 -40.05 78.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.516 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -81.37 -33.76 32.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.525 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 58.8 mmtt -50.69 -54.6 21.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.609 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 30.5 ttpt -60.14 -47.48 85.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.558 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.641 HD23 ' O ' ' A' ' 59' ' ' LEU . 0.9 OUTLIER -62.14 -26.39 68.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.563 179.944 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.7 t -71.3 -35.53 71.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.512 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -63.64 -31.82 73.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.635 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.442 ' O ' HG22 ' A' ' 66' ' ' ILE . 92.7 m -64.18 -37.89 89.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.557 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.485 HD12 ' N ' ' A' ' 63' ' ' LEU . 8.9 mp -75.27 -24.66 57.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.662 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -84.28 -36.63 22.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.577 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.441 ' O ' ' OE2' ' A' ' 69' ' ' GLU . 99.7 mtt180 -68.43 -44.48 74.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.592 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.442 HG22 ' O ' ' A' ' 62' ' ' CYS . 20.7 tt -76.6 -34.99 24.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.542 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.426 ' O ' ' CB ' ' A' ' 71' ' ' ASP . . . -61.01 -45.36 96.77 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.441 ' O ' ' OD1' ' A' ' 68' ' ' ASP . 68.3 t0 -62.84 -34.27 76.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.667 0.27 . . . . 0.0 110.525 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.551 ' N ' ' OE1' ' A' ' 69' ' ' GLU . 0.3 OUTLIER -79.63 -58.49 3.16 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.597 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.19 -43.05 74.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.552 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.426 ' CB ' ' O ' ' A' ' 67' ' ' GLY . 38.9 t70 -65.07 -8.72 17.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.593 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.6 t -96.44 7.08 47.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.565 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -93.0 111.42 23.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.567 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 98.0 mmm -68.26 -11.15 58.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.585 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -80.4 -67.23 0.79 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.587 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 7.5 tp -59.86 -40.26 87.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.569 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 8.8 tm0? -61.83 -37.88 86.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.587 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 71.3 ttt180 -68.51 -44.98 73.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.568 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.485 ' SD ' HG23 ' A' ' 182' ' ' THR . 73.8 mtp -54.42 -43.92 71.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.575 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.644 ' O ' HG12 ' A' ' 83' ' ' VAL . 84.1 mt -62.42 -23.68 32.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.61 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -86.04 -18.74 31.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.526 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -86.37 -15.52 40.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.585 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.881 HG13 ' O ' ' A' ' 83' ' ' VAL . 7.4 p -89.36 82.89 2.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.562 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.413 ' O ' ' O ' ' A' ' 83' ' ' VAL . 53.7 p-10 -40.81 162.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.531 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 64.1 p -119.51 119.66 34.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.599 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 55.7 p-10 -148.24 -0.85 0.57 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.535 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.682 ' O ' HG12 ' A' ' 91' ' ' VAL . 34.1 t -175.31 87.79 0.3 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.548 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.507 ' O ' ' CB ' ' A' ' 92' ' ' PHE . 35.2 Cg_endo -67.89 -16.47 45.67 Favored 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.772 2.315 . . . . 0.0 112.11 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 15.0 ptt-85 -85.15 -35.12 21.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.497 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -78.16 -58.07 3.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.507 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.682 HG12 ' O ' ' A' ' 87' ' ' SER . 9.5 p -56.96 -51.55 67.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.524 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.661 ' N ' HG13 ' A' ' 91' ' ' VAL . 85.6 t80 -45.75 -52.57 10.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.517 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -67.63 -30.51 70.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.541 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.75 ' NE ' ' HE1' ' A' ' 188' ' ' TRP . 20.1 ttp180 -71.32 -57.81 4.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.597 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.622 HG23 ' N ' ' A' ' 96' ' ' ALA . 28.4 m -59.67 -48.13 88.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.52 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.622 ' N ' HG23 ' A' ' 95' ' ' VAL . . . -54.93 -27.69 45.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.573 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -81.92 -38.87 24.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.513 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.41 ' O ' ' C ' ' A' ' 99' ' ' MET . 99.8 m-20 -63.09 -38.8 92.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.54 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . 0.535 ' HB2' HH21 ' A' ' 109' ' ' ARG . 64.1 mtt -38.24 -69.0 0.13 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.548 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.604 ' CD2' ' O ' ' A' ' 100' ' ' PHE . 16.6 p90 -111.17 57.55 0.62 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.56 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.3 t -74.68 -26.73 60.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.665 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . 0.532 ' O ' ' C ' ' A' ' 103' ' ' GLY . 54.9 p-10 -155.67 -18.37 0.11 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.508 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.532 ' C ' ' O ' ' A' ' 102' ' ' ASP . . . -26.25 -80.73 0.01 OUTLIER Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . 0.606 ' O ' ' CG ' ' A' ' 105' ' ' PHE . 28.5 t-20 174.53 34.34 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.789 0.328 . . . . 0.0 110.631 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.606 ' CG ' ' O ' ' A' ' 104' ' ' ASN . 28.9 p90 42.72 29.09 0.15 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.533 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.519 ' O ' ' HB2' ' A' ' 107' ' ' TRP . 28.0 p30 -52.07 -110.51 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.566 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' TRP . . . . . 0.542 ' NE1' HG21 ' A' ' 110' ' ' VAL . 6.6 t90 174.6 -26.15 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.554 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . 0.59 ' O ' HG12 ' A' ' 111' ' ' VAL . . . -50.2 -42.1 40.2 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . 0.535 HH21 ' HB2' ' A' ' 99' ' ' MET . 0.0 OUTLIER -48.04 -26.1 1.68 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.858 0.361 . . . . 0.0 110.645 179.928 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.542 HG21 ' NE1' ' A' ' 107' ' ' TRP . 37.0 t -52.58 -57.94 3.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.514 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.59 HG12 ' O ' ' A' ' 108' ' ' GLY . 4.7 p -45.29 -46.76 3.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.529 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.581 ' N ' HG13 ' A' ' 111' ' ' VAL . . . -58.16 -34.83 70.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.574 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.669 ' O ' HD23 ' A' ' 113' ' ' LEU . 1.9 tt -57.04 -46.78 82.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.578 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -57.26 -44.03 83.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.538 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 92.6 t80 -68.01 -43.46 78.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.538 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.452 ' CE2' HG21 ' A' ' 95' ' ' VAL . 92.7 t80 -59.23 -41.7 89.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.504 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.509 ' O ' HG23 ' A' ' 121' ' ' VAL . . . -71.13 -32.45 69.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.583 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 4.9 t -48.75 -44.09 38.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.561 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.814 ' O ' ' CB ' ' A' ' 123' ' ' LYS . 55.1 mmtt -60.09 -43.49 95.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.529 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 52.3 mt -68.26 -30.84 69.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.552 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.723 HG13 HG23 ' A' ' 133' ' ' ILE . 55.8 t -77.63 -53.32 14.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.474 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.47 HD22 ' CB ' ' A' ' 35' ' ' ALA . 71.0 mt -73.03 -40.74 64.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.546 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.814 ' CB ' ' O ' ' A' ' 119' ' ' LYS . 39.5 tptt -58.36 -41.21 84.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.507 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.426 ' O ' ' OG1' ' A' ' 127' ' ' THR . . . -75.69 -20.75 58.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.502 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.479 HD11 ' CD ' ' A' ' 44' ' ' GLU . 15.0 tp -64.39 -30.62 71.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.573 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 36.3 t -84.29 -36.26 22.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.585 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.557 ' O ' ' CB ' ' A' ' 128' ' ' LYS . 41.1 p -54.15 -16.73 2.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.471 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . 0.557 ' CB ' ' O ' ' A' ' 127' ' ' THR . 72.3 tttt 84.84 46.62 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.531 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . 0.553 ' CG2' ' OG1' ' A' ' 127' ' ' THR . 0.2 OUTLIER -148.3 87.56 5.64 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.519 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' PRO . . . . . 0.467 ' HB3' ' OE1' ' A' ' 44' ' ' GLU . 38.3 Cg_endo -69.98 -15.04 36.12 Favored 'Trans proline' 0 C--N 1.305 -1.734 0 C-N-CA 122.782 2.321 . . . . 0.0 112.027 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . 0.761 ' O ' HG23 ' A' ' 135' ' ' THR . 80.9 tt0 -64.07 -41.59 97.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.467 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.54 ' HA ' ' OG1' ' A' ' 135' ' ' THR . 8.5 mp -60.5 -34.16 73.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.549 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.723 HG23 HG13 ' A' ' 121' ' ' VAL . 21.0 mm -56.85 -50.07 76.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.535 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 83.9 mtp180 -69.18 -34.87 75.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.505 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . 0.761 HG23 ' O ' ' A' ' 131' ' ' GLU . 70.8 p -67.19 -31.94 72.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.546 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . 0.423 HG21 ' CG2' ' A' ' 121' ' ' VAL . 45.7 mt -69.67 -58.83 4.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.519 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 71.9 mtp -46.53 -25.53 0.7 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.527 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -68.61 -40.49 85.9 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' TRP . . . . . 0.509 ' CD1' ' N ' ' A' ' 139' ' ' TRP . 8.5 m0 -66.38 -24.47 66.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.78 0.324 . . . . 0.0 110.54 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' THR . . . . . 0.511 ' OG1' ' N ' ' A' ' 141' ' ' LEU . 13.4 p -75.49 -65.83 0.85 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.531 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . 0.511 ' N ' ' OG1' ' A' ' 140' ' ' THR . 53.1 mt -51.87 -33.57 37.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.587 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -65.71 -51.05 62.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.57 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . 0.492 ' O ' ' HB2' ' A' ' 147' ' ' ARG . 37.1 t80 -66.9 -38.89 87.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.499 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.578 HD12 ' HB2' ' A' ' 148' ' ' LEU . 2.0 tp -71.07 -35.46 71.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.58 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 59.0 ttp180 -83.04 -10.64 58.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.616 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -111.98 -4.67 14.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.575 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . 1.153 ' O ' ' N ' ' A' ' 149' ' ' LEU . 7.8 mtp180 -142.15 -110.95 0.13 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.636 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . 0.814 ' H ' HD22 ' A' ' 148' ' ' LEU . 1.0 OUTLIER -15.38 -27.78 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.604 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . 1.153 ' N ' ' O ' ' A' ' 147' ' ' ARG . 57.9 tp -49.01 -56.29 9.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.604 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -63.96 -50.65 59.39 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 151' ' ' TRP . . . . . . . . . . . . . 99.9 m95 -66.24 -55.81 14.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.803 0.335 . . . . 0.0 110.61 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 152' ' ' ILE . . . . . 0.698 ' N ' ' O ' ' A' ' 148' ' ' LEU . 10.5 tt -51.22 -34.45 14.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.589 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . 0.678 ' NE2' HD11 ' A' ' 149' ' ' LEU . 51.4 mt-30 -67.41 -31.33 71.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.543 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -88.96 -4.61 58.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.584 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -97.45 0.83 48.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.562 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 83.65 24.67 49.26 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 89.82 -160.31 28.64 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 158' ' ' TRP . . . . . 0.412 ' CD1' HD11 ' A' ' 152' ' ' ILE . 54.4 m95 -74.02 -5.53 41.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.784 0.326 . . . . 0.0 110.529 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -60.92 -42.52 98.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.538 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -54.39 -32.2 51.84 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . 0.585 HD23 ' O ' ' A' ' 161' ' ' LEU . 2.0 tt -62.95 -54.0 45.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.772 0.32 . . . . 0.0 110.584 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 48.3 tp -67.12 -30.98 71.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.577 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 21.2 t -66.84 -26.31 66.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.521 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 93.5 t80 -76.6 -42.68 41.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.571 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -71.62 48.15 0.14 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.478 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -131.34 39.32 1.79 Allowed Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 167' ' ' THR . . . . . 1.037 ' OG1' ' HD2' ' A' ' 168' ' ' PRO . 0.6 OUTLIER -108.66 179.5 0.84 Allowed Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 120.832 0.348 . . . . 0.0 110.597 179.901 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 168' ' ' PRO . . . . . 1.037 ' HD2' ' OG1' ' A' ' 167' ' ' THR . 47.2 Cg_endo -72.31 -146.47 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.743 0 C-N-CA 122.862 2.375 . . . . 0.0 112.069 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 169' ' ' THR . . . . . 0.594 ' C ' ' O ' ' A' ' 168' ' ' PRO . 67.2 p -22.84 102.2 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.507 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 170' ' ' TRP . . . . . 0.688 ' O ' HG22 ' A' ' 173' ' ' VAL . 34.3 p90 -65.33 -18.61 65.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.563 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 171' ' ' GLN . . . . . . . . . . . . . 4.5 pp0? -46.96 -14.2 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.598 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 172' ' ' THR . . . . . 0.52 ' O ' HG22 ' A' ' 175' ' ' ILE . 4.8 m -86.93 -29.55 22.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.587 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 173' ' ' VAL . . . . . 0.688 HG22 ' O ' ' A' ' 170' ' ' TRP . 2.0 m -72.15 -45.67 61.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.551 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 174' ' ' THR . . . . . 0.564 ' N ' ' CG2' ' A' ' 173' ' ' VAL . 24.9 m -64.58 -24.92 67.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.578 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 175' ' ' ILE . . . . . 0.52 HG22 ' O ' ' A' ' 172' ' ' THR . 1.7 tt -85.82 -7.38 10.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.551 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 176' ' ' PHE . . . . . 0.488 ' O ' HG12 ' A' ' 180' ' ' VAL . 63.8 t80 -94.7 -60.04 1.79 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.593 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 3.2 m -62.13 -16.71 16.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.597 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 178' ' ' ALA . . . . . 0.624 ' O ' ' OG1' ' A' ' 182' ' ' THR . . . -95.51 -45.9 6.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.606 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -62.36 -26.19 67.67 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 180' ' ' VAL . . . . . 0.698 HG13 ' N ' ' A' ' 181' ' ' LEU . 13.8 p -86.21 -51.73 12.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.848 0.356 . . . . 0.0 110.606 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 181' ' ' LEU . . . . . 0.698 ' N ' HG13 ' A' ' 180' ' ' VAL . 43.5 tp -69.34 -47.97 62.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.543 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 182' ' ' THR . . . . . 0.624 ' OG1' ' O ' ' A' ' 178' ' ' ALA . 25.4 m -50.47 -51.43 47.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.619 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -47.31 -45.68 24.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.566 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 184' ' ' SER . . . . . . . . . . . . . 27.6 t -54.48 -37.93 65.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.494 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 60.3 mt -77.56 -21.76 52.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.613 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 21.5 m -73.22 -44.84 58.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.574 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 187' ' ' ILE . . . . . 0.639 HG23 ' N ' ' A' ' 188' ' ' TRP . 12.5 tt -73.69 -51.7 23.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.547 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 188' ' ' TRP . . . . . 0.75 ' HE1' ' NE ' ' A' ' 94' ' ' ARG . 6.2 t90 -30.72 -56.98 0.21 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.573 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 7.5 mmtt -175.68 128.35 0.25 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.569 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 190' ' ' LYS . . . . . . . . . . . . . 14.7 ptmt -109.95 89.48 3.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.536 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 191' ' ' MET . . . . . . . . . . . . . 84.0 mtp -128.56 136.62 51.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.591 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.763 0 CA-C-O 118.002 -1.443 . . . . 0.0 110.93 -179.994 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.766 ' O ' ' CD1' ' A' ' 19' ' ' ILE . 3.3 p . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.779 0.323 . . . . 0.0 110.441 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.422 ' H ' ' HB2' ' A' ' 15' ' ' SER . 23.3 m -95.52 -15.41 22.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.416 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 69.2 mm-40 -78.18 -49.65 13.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.539 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.483 ' CD ' ' O ' ' A' ' 18' ' ' GLN . 3.5 tm0? -66.63 -23.6 66.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.566 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.766 ' CD1' ' O ' ' A' ' 15' ' ' SER . 72.4 mt -81.52 -55.2 8.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.641 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.457 ' C ' ' SD ' ' A' ' 20' ' ' MET . 12.9 tmm? -53.11 -36.79 61.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.607 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 64.3 mmtt -67.15 -46.08 75.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.552 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.436 HG22 ' O ' ' A' ' 22' ' ' THR . 32.9 m -72.39 -8.1 53.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.528 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -79.41 -53.91 4.21 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.878 ' O ' ' HB3' ' A' ' 28' ' ' GLN . . . -78.33 -9.37 59.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.767 0.317 . . . . 0.0 110.473 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.612 HD23 ' C ' ' A' ' 25' ' ' LEU . 4.7 tt -86.62 -80.82 0.23 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.58 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.549 ' C ' ' O ' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -26.83 -65.69 0.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.563 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.5 ' N ' HD12 ' A' ' 27' ' ' LEU . 10.9 mp -51.25 -57.78 7.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.654 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.878 ' HB3' ' O ' ' A' ' 24' ' ' ALA . 0.4 OUTLIER -47.64 -17.78 0.11 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.536 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.541 ' O ' ' N ' ' A' ' 31' ' ' ILE . . . -88.81 -72.8 1.28 Allowed Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 44.8 t80 -42.17 -18.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.787 0.327 . . . . 0.0 110.535 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.541 ' N ' ' O ' ' A' ' 29' ' ' GLY . 90.8 mt -76.97 -69.2 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.547 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.55 ' CG ' HD23 ' A' ' 45' ' ' LEU . 5.4 pp0? -78.88 29.98 0.2 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.554 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.415 ' H ' ' C ' ' A' ' 31' ' ' ILE . 67.9 t0 -112.96 -50.96 2.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.598 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.421 ' NH2' ' OD2' ' A' ' 71' ' ' ASP . 16.0 ptm180 -91.4 -26.86 18.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.538 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.467 ' CB ' HD22 ' A' ' 122' ' ' LEU . . . -99.11 -12.96 20.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.603 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.674 0 N-CA-C 110.911 -0.875 . . . . 0.0 110.911 -179.971 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo . . . . . 0 N--CA 1.493 1.46 0 CA-C-O 120.91 0.296 . . . . 0.0 112.061 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.676 ' OE1' ' N ' ' A' ' 44' ' ' GLU . 40.5 mp0 -74.8 -14.98 60.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.612 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.55 HD23 ' CG ' ' A' ' 32' ' ' GLN . 25.2 tp -90.82 63.99 5.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.533 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -78.16 133.95 37.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.529 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.53 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.804 0.335 . . . . 0.0 110.598 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -80.76 -1.43 42.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.568 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 98.3 p -58.28 -40.28 81.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.597 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -80.46 -34.14 36.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.57 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -50.61 -54.77 20.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.554 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 30.4 ttpt -60.04 -47.61 85.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.609 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.642 HD23 ' O ' ' A' ' 59' ' ' LEU . 0.9 OUTLIER -62.01 -26.47 68.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.64 179.907 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.5 t -71.13 -35.53 71.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.642 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -63.66 -31.83 73.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.563 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.429 ' O ' HG22 ' A' ' 66' ' ' ILE . 99.8 m -64.12 -37.95 89.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.6 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.472 HD12 ' N ' ' A' ' 63' ' ' LEU . 9.5 mp -75.17 -24.83 57.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.511 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -84.12 -36.62 22.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.663 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.429 ' O ' ' OE2' ' A' ' 69' ' ' GLU . 95.0 mtt180 -68.56 -44.43 74.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.588 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.429 HG22 ' O ' ' A' ' 62' ' ' CYS . 21.0 tt -76.49 -35.08 25.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.567 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.425 ' O ' ' CB ' ' A' ' 71' ' ' ASP . . . -61.14 -45.21 97.01 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.437 ' O ' ' OD1' ' A' ' 68' ' ' ASP . 68.2 t0 -62.87 -34.34 77.18 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.764 0.316 . . . . 0.0 110.495 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.534 ' N ' ' OE1' ' A' ' 69' ' ' GLU . 0.3 OUTLIER -79.65 -58.39 3.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.604 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.25 -43.03 74.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.568 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.425 ' CB ' ' O ' ' A' ' 67' ' ' GLY . 53.7 t0 -65.02 -8.78 17.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.59 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.6 t -96.44 7.09 47.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.554 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -92.98 111.46 23.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.595 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 64.3 mtt -68.28 -11.3 59.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.542 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -80.27 -67.3 0.78 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.59 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 7.6 tp -59.76 -40.36 87.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.552 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 10.8 tm0? -61.69 -38.03 86.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.521 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 76.1 ttt180 -68.52 -44.89 73.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.51 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.483 ' SD ' HG23 ' A' ' 182' ' ' THR . 73.2 mtp -54.57 -43.88 72.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.529 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.641 ' O ' HG12 ' A' ' 83' ' ' VAL . 82.1 mt -62.39 -23.68 32.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.582 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -86.04 -18.69 31.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.584 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -86.51 -15.35 40.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.538 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.875 HG13 ' O ' ' A' ' 83' ' ' VAL . 7.8 p -89.47 82.74 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.623 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.422 ' O ' ' O ' ' A' ' 83' ' ' VAL . 56.9 p-10 -40.51 162.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.594 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 37.9 p -119.79 119.77 34.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.613 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -148.53 -0.59 0.55 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.48 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.67 ' O ' HG12 ' A' ' 91' ' ' VAL . 46.0 t -175.4 87.45 0.3 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.544 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.496 ' O ' ' CB ' ' A' ' 92' ' ' PHE . 35.0 Cg_endo -67.85 -15.74 44.51 Favored 'Trans proline' 0 C--N 1.306 -1.685 0 C-N-CA 122.794 2.33 . . . . 0.0 112.12 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 33.9 ptt-85 -85.4 -35.96 20.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.548 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -77.55 -58.58 3.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.533 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.67 HG12 ' O ' ' A' ' 87' ' ' SER . 10.5 p -56.05 -51.87 56.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.543 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.666 ' N ' HG13 ' A' ' 91' ' ' VAL . 84.5 t80 -45.66 -52.65 10.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.454 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -67.61 -30.56 70.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.586 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 10.8 tpp85 -71.33 -57.96 3.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.549 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.625 HG23 ' N ' ' A' ' 96' ' ' ALA . 27.9 m -59.36 -48.2 87.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.493 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.625 ' N ' HG23 ' A' ' 95' ' ' VAL . . . -54.98 -27.6 45.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.614 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -81.96 -38.89 24.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.502 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.41 ' O ' ' C ' ' A' ' 99' ' ' MET . 99.7 m-20 -63.15 -38.67 92.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.554 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . 0.531 ' HB2' HH21 ' A' ' 109' ' ' ARG . 64.7 mtt -38.45 -68.87 0.14 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.539 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.597 ' CD2' ' O ' ' A' ' 100' ' ' PHE . 17.3 p90 -111.23 57.6 0.62 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.623 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.2 t -74.71 -26.78 60.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.587 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . 0.535 ' O ' ' C ' ' A' ' 103' ' ' GLY . 55.5 p-10 -155.58 -18.43 0.11 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.593 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.535 ' C ' ' O ' ' A' ' 102' ' ' ASP . . . -26.3 -80.68 0.01 OUTLIER Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . 0.606 ' O ' ' CG ' ' A' ' 105' ' ' PHE . 11.5 m-20 174.49 34.36 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.821 0.343 . . . . 0.0 110.598 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.606 ' CG ' ' O ' ' A' ' 104' ' ' ASN . 26.6 p90 42.69 29.13 0.15 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.507 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.52 ' CG ' ' H ' ' A' ' 107' ' ' TRP . 28.8 p30 -52.13 -110.49 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.565 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' TRP . . . . . 0.535 ' NE1' HG21 ' A' ' 110' ' ' VAL . 6.4 t90 174.64 -26.19 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.576 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . 0.588 ' O ' HG12 ' A' ' 111' ' ' VAL . . . -50.11 -42.14 39.51 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.876 -0.89 . . . . 0.0 110.876 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . 0.531 HH21 ' HB2' ' A' ' 99' ' ' MET . 0.0 OUTLIER -48.14 -26.01 1.71 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.782 0.325 . . . . 0.0 110.58 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.535 HG21 ' NE1' ' A' ' 107' ' ' TRP . 35.0 t -52.63 -57.89 3.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.583 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.588 HG12 ' O ' ' A' ' 108' ' ' GLY . 4.7 p -45.19 -46.83 3.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.573 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.58 ' N ' HG13 ' A' ' 111' ' ' VAL . . . -57.97 -35.22 70.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.525 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.669 ' O ' HD23 ' A' ' 113' ' ' LEU . 1.9 tt -56.8 -46.79 81.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.498 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . 0.451 ' CZ ' ' CG1' ' A' ' 110' ' ' VAL . 9.8 m-85 -57.18 -44.05 83.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.556 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 92.5 t80 -68.02 -43.67 78.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.499 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.458 ' CE2' HG21 ' A' ' 95' ' ' VAL . 93.2 t80 -59.01 -41.94 88.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.509 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.508 ' O ' HG23 ' A' ' 121' ' ' VAL . . . -70.88 -32.59 69.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.566 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 4.8 t -48.63 -44.31 37.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.516 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.821 ' O ' ' CB ' ' A' ' 123' ' ' LYS . 54.5 mmtt -59.91 -43.57 94.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.545 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 54.0 mt -68.11 -31.22 70.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.517 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.721 HG13 HG23 ' A' ' 133' ' ' ILE . 54.6 t -77.16 -53.58 14.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.545 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.467 HD22 ' CB ' ' A' ' 35' ' ' ALA . 70.2 mt -72.87 -40.9 65.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.558 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.821 ' CB ' ' O ' ' A' ' 119' ' ' LYS . 88.8 tttt -58.12 -40.98 82.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.612 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -75.83 -21.66 57.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.594 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 42.5 tp -63.18 -32.2 73.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.613 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' CYS . . . . . 0.461 ' SG ' ' N ' ' A' ' 127' ' ' THR . 14.4 p -83.53 -35.26 24.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.616 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.765 ' O ' ' HB2' ' A' ' 128' ' ' LYS . 55.3 m -53.81 -19.07 3.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.584 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . 0.765 ' HB2' ' O ' ' A' ' 127' ' ' THR . 50.8 mtpt 87.52 45.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.625 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 129' ' ' VAL . 14.4 m -148.3 88.46 5.4 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.589 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' PRO . . . . . 0.4 ' HA ' HG12 ' A' ' 133' ' ' ILE . 39.8 Cg_endo -70.21 -14.72 34.99 Favored 'Trans proline' 0 C--N 1.306 -1.678 0 C-N-CA 122.783 2.322 . . . . 0.0 112.069 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . 0.739 ' O ' HG23 ' A' ' 135' ' ' THR . 81.1 tt0 -64.11 -41.66 97.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.563 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.549 ' HA ' ' OG1' ' A' ' 135' ' ' THR . 9.0 mp -60.42 -34.11 73.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.544 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.721 HG23 HG13 ' A' ' 121' ' ' VAL . 21.0 mm -56.81 -50.1 76.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.506 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 89.1 mtm180 -69.17 -34.83 75.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.436 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . 0.739 HG23 ' O ' ' A' ' 131' ' ' GLU . 62.5 p -67.16 -32.09 72.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.508 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . 0.42 HG21 ' CG2' ' A' ' 121' ' ' VAL . 44.8 mt -69.62 -58.99 4.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.494 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 53.1 ttm -46.35 -25.49 0.65 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.527 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -68.74 -40.48 85.28 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' TRP . . . . . 0.507 ' CD1' ' N ' ' A' ' 139' ' ' TRP . 10.0 m0 -66.31 -24.4 66.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.845 0.355 . . . . 0.0 110.585 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' THR . . . . . 0.47 ' OG1' ' N ' ' A' ' 141' ' ' LEU . 22.5 p -75.54 -65.86 0.85 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.526 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . 0.47 ' N ' ' OG1' ' A' ' 140' ' ' THR . 51.2 mt -51.74 -33.64 35.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.615 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -65.77 -51.01 62.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.537 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . 0.431 ' O ' ' HB2' ' A' ' 147' ' ' ARG . 5.7 t80 -66.8 -38.93 87.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.567 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.557 HD12 ' HB2' ' A' ' 148' ' ' LEU . 1.6 tp -70.98 -35.57 72.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.596 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 59.1 ttp180 -83.03 -10.61 58.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.592 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -112.03 -4.67 14.42 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.527 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . 1.154 ' O ' ' N ' ' A' ' 149' ' ' LEU . 12.2 mtp180 -142.14 -110.93 0.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.55 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . 0.792 ' H ' HD22 ' A' ' 148' ' ' LEU . 1.0 OUTLIER -15.28 -27.81 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.539 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . 1.154 ' N ' ' O ' ' A' ' 147' ' ' ARG . 47.1 tp -49.07 -56.36 9.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.541 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -63.91 -50.59 59.88 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 151' ' ' TRP . . . . . . . . . . . . . 8.8 m95 -66.24 -55.82 14.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.79 0.329 . . . . 0.0 110.581 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 152' ' ' ILE . . . . . 0.697 ' N ' ' O ' ' A' ' 148' ' ' LEU . 10.3 tt -51.42 -34.24 15.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.546 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 56.4 tt0 -67.47 -31.23 71.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.593 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -89.25 -4.4 58.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.544 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -97.55 0.74 47.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.536 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 83.77 24.63 48.92 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 89.84 -160.32 28.61 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 158' ' ' TRP . . . . . 0.521 ' CD1' HD11 ' A' ' 152' ' ' ILE . 31.7 m95 -73.99 -5.6 42.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.829 0.347 . . . . 0.0 110.561 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -60.93 -42.42 98.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.578 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -54.37 -32.2 51.74 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . 0.58 HD23 ' O ' ' A' ' 161' ' ' LEU . 2.1 tt -63.01 -53.98 45.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.755 0.312 . . . . 0.0 110.547 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 50.4 tp -67.19 -31.0 71.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.532 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 20.8 t -66.83 -26.21 66.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.542 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 91.7 t80 -76.71 -42.66 40.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.565 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -71.58 47.89 0.14 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.574 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -130.84 39.01 1.85 Allowed Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 167' ' ' THR . . . . . 1.004 ' OG1' ' HD2' ' A' ' 168' ' ' PRO . 0.6 OUTLIER -108.39 179.26 0.89 Allowed Pre-proline 0 C--N 1.33 -0.242 0 CA-C-O 120.917 0.389 . . . . 0.0 110.511 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 168' ' ' PRO . . . . . 1.004 ' HD2' ' OG1' ' A' ' 167' ' ' THR . 48.3 Cg_endo -72.5 -145.8 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 122.89 2.393 . . . . 0.0 112.052 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 169' ' ' THR . . . . . 0.589 ' C ' ' O ' ' A' ' 168' ' ' PRO . 18.3 p -23.1 101.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.569 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 170' ' ' TRP . . . . . 0.69 ' O ' HG22 ' A' ' 173' ' ' VAL . 33.3 p90 -64.97 -18.57 65.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.566 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 171' ' ' GLN . . . . . 0.537 ' NE2' ' OG1' ' A' ' 172' ' ' THR . 5.4 pp0? -47.25 -14.07 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.579 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 172' ' ' THR . . . . . 0.537 ' OG1' ' NE2' ' A' ' 171' ' ' GLN . 5.1 m -87.02 -29.5 21.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.587 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 173' ' ' VAL . . . . . 0.69 HG22 ' O ' ' A' ' 170' ' ' TRP . 2.0 m -72.1 -45.69 61.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.552 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 174' ' ' THR . . . . . 0.567 ' N ' ' CG2' ' A' ' 173' ' ' VAL . 24.9 m -64.52 -24.9 67.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.544 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 175' ' ' ILE . . . . . 0.556 ' O ' HG22 ' A' ' 175' ' ' ILE . 89.1 mt -85.78 -7.48 10.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.502 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 176' ' ' PHE . . . . . 0.486 ' O ' HG12 ' A' ' 180' ' ' VAL . 63.5 t80 -94.74 -59.98 1.8 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.559 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 3.2 m -62.11 -16.78 16.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.554 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 178' ' ' ALA . . . . . 0.623 ' O ' ' OG1' ' A' ' 182' ' ' THR . . . -95.54 -45.89 6.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.568 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -62.28 -26.22 67.57 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 180' ' ' VAL . . . . . 0.699 HG13 ' N ' ' A' ' 181' ' ' LEU . 13.6 p -86.21 -51.72 12.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.779 0.323 . . . . 0.0 110.6 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 181' ' ' LEU . . . . . 0.699 ' N ' HG13 ' A' ' 180' ' ' VAL . 43.2 tp -69.32 -47.98 62.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.598 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 182' ' ' THR . . . . . 0.623 ' OG1' ' O ' ' A' ' 178' ' ' ALA . 25.8 m -50.49 -51.39 47.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.56 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -47.36 -45.71 25.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.58 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 184' ' ' SER . . . . . . . . . . . . . 27.9 t -54.42 -37.92 65.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.596 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 64.0 mt -77.57 -21.74 52.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.595 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 186' ' ' THR . . . . . 0.483 ' O ' ' CG ' ' A' ' 190' ' ' LYS . 90.8 m -73.17 -44.89 59.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.581 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 187' ' ' ILE . . . . . 0.637 HG23 ' N ' ' A' ' 188' ' ' TRP . 12.4 tt -73.7 -51.65 24.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.581 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 188' ' ' TRP . . . . . 0.637 ' N ' HG23 ' A' ' 187' ' ' ILE . 0.2 OUTLIER -30.72 -56.95 0.21 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.563 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 8.0 mmtt -175.76 128.31 0.24 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.597 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 190' ' ' LYS . . . . . 0.483 ' CG ' ' O ' ' A' ' 186' ' ' THR . 42.6 mtmt -109.94 89.6 3.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.508 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 191' ' ' MET . . . . . . . . . . . . . 84.2 mtp -128.59 136.57 50.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.563 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.731 0 CA-C-O 117.981 -1.455 . . . . 0.0 110.968 179.985 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.542 ' O ' ' CD1' ' A' ' 19' ' ' ILE . 34.0 p . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.804 0.335 . . . . 0.0 110.602 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.5 m -90.6 -5.4 55.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.687 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -82.35 -50.88 8.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.691 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.545 ' CD ' ' O ' ' A' ' 18' ' ' GLN . 3.0 tm0? -68.17 -20.4 64.87 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.594 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.542 ' CD1' ' O ' ' A' ' 15' ' ' SER . 71.0 mt -84.56 -57.32 4.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.57 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 62.4 ttp -51.37 -36.64 44.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.537 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -67.1 -47.13 72.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.444 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.441 HG22 ' O ' ' A' ' 22' ' ' THR . 29.1 m -71.89 -5.57 35.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.493 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -81.81 -53.76 3.65 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.668 ' O ' ' CG ' ' A' ' 28' ' ' GLN . . . -78.63 -8.85 59.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.833 0.349 . . . . 0.0 110.494 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.554 ' O ' ' C ' ' A' ' 26' ' ' LEU . 29.9 tp -86.7 -81.51 0.22 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.558 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.733 HD22 HG23 ' A' ' 56' ' ' THR . 0.1 OUTLIER -26.11 -66.4 0.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.531 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.427 ' C ' ' N ' ' A' ' 29' ' ' GLY . 4.9 tp -50.58 -58.54 5.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.579 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.857 ' NE2' HD11 ' A' ' 45' ' ' LEU . 69.6 mm-40 -46.85 -18.02 0.06 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.614 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.547 ' O ' ' N ' ' A' ' 31' ' ' ILE . . . -88.73 -72.9 1.28 Allowed Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -42.19 -18.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.834 0.35 . . . . 0.0 110.531 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.547 ' N ' ' O ' ' A' ' 29' ' ' GLY . 88.1 mt -77.07 -69.22 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.588 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.538 ' O ' ' CD ' ' A' ' 32' ' ' GLN . 0.0 OUTLIER -78.82 29.88 0.2 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.542 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.478 ' OD1' ' OE1' ' A' ' 32' ' ' GLN . 50.4 m-20 -112.81 -51.12 2.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.645 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.465 ' NH2' ' OD2' ' A' ' 71' ' ' ASP . 15.9 ptm180 -91.23 -27.13 18.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.579 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.474 ' CB ' HD22 ' A' ' 122' ' ' LEU . . . -98.75 -13.9 19.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.533 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.671 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.98 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_exo . . . . . 0 N--CA 1.493 1.452 0 CA-C-O 120.844 0.268 . . . . 0.0 111.972 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -93.68 -8.08 41.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.53 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.857 HD11 ' NE2' ' A' ' 28' ' ' GLN . 35.0 tp -105.23 67.3 0.77 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.559 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -76.32 138.86 40.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.571 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.911 HD23 ' H ' ' A' ' 47' ' ' LEU . 1.1 pt? . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.557 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.688 0.28 . . . . 0.0 110.591 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -86.57 -2.94 58.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.628 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 6.5 t -58.45 -40.3 82.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.562 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.733 HG23 HD22 ' A' ' 26' ' ' LEU . 1.2 m -81.13 -33.87 32.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.515 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.2 mmmt -50.58 -54.58 21.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.564 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 31.9 ttpt -59.98 -47.73 84.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.554 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.622 HD23 ' O ' ' A' ' 59' ' ' LEU . 0.8 OUTLIER -61.94 -26.46 68.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.551 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.5 t -71.34 -35.36 71.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.556 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 76.0 mt-10 -63.78 -31.79 73.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.571 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.438 ' O ' HG22 ' A' ' 66' ' ' ILE . 92.9 m -64.24 -37.85 88.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.563 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.433 HD12 ' N ' ' A' ' 63' ' ' LEU . 8.6 mp -75.29 -24.72 57.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.535 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.9 ttpm? -84.26 -36.66 22.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.596 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.435 ' O ' ' OE2' ' A' ' 69' ' ' GLU . 99.6 mtt180 -68.5 -44.48 74.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.63 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.438 HG22 ' O ' ' A' ' 62' ' ' CYS . 20.7 tt -76.46 -35.05 25.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.623 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.426 ' O ' ' CB ' ' A' ' 71' ' ' ASP . . . -61.0 -45.4 96.69 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.961 -0.855 . . . . 0.0 110.961 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -62.76 -34.32 76.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.8 0.333 . . . . 0.0 110.592 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.54 ' N ' ' OE1' ' A' ' 69' ' ' GLU . 0.3 OUTLIER -79.59 -58.49 3.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.629 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.15 -43.05 73.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.617 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.465 ' OD2' ' NH2' ' A' ' 34' ' ' ARG . 55.0 t0 -65.07 -8.76 17.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.585 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.5 t -96.38 7.18 47.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.541 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -93.13 111.44 23.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.572 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 68.9 mtt -68.24 -11.35 59.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.542 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -80.17 -67.39 0.77 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.622 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 7.9 tp -59.68 -40.4 87.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.614 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.74 -37.91 85.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.584 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 72.3 ttt180 -68.55 -45.01 73.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.51 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.43 ' SD ' HG23 ' A' ' 182' ' ' THR . 55.6 mtt -54.43 -43.93 71.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.599 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.64 ' O ' HG12 ' A' ' 83' ' ' VAL . 83.7 mt -62.39 -23.71 32.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.59 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -85.97 -18.68 31.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.608 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -86.55 -15.18 40.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.635 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.885 HG13 ' O ' ' A' ' 83' ' ' VAL . 7.4 p -89.72 82.99 2.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.568 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 50.4 p30 -41.28 162.04 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.549 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 80.3 p -119.24 120.32 36.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.629 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 52.8 p-10 -148.67 -0.73 0.53 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.436 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.656 ' O ' HG12 ' A' ' 91' ' ' VAL . 39.1 t -175.27 86.9 0.31 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.459 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.504 ' O ' ' HB2' ' A' ' 92' ' ' PHE . 31.9 Cg_endo -67.16 -16.0 47.74 Favored 'Trans proline' 0 C--N 1.306 -1.684 0 C-N-CA 122.798 2.332 . . . . 0.0 112.049 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 17.8 ptt-85 -85.7 -35.38 20.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.488 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -77.79 -58.05 3.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.495 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.665 HG13 ' N ' ' A' ' 92' ' ' PHE . 10.1 p -57.02 -51.54 67.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.577 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.665 ' N ' HG13 ' A' ' 91' ' ' VAL . 30.4 t80 -45.7 -52.64 10.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.498 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -67.64 -30.44 70.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.521 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.777 ' NE ' ' HE1' ' A' ' 188' ' ' TRP . 24.7 ttp180 -71.3 -57.93 4.0 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.566 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.624 HG23 ' N ' ' A' ' 96' ' ' ALA . 27.9 m -59.51 -48.26 87.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.535 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.624 ' N ' HG23 ' A' ' 95' ' ' VAL . . . -54.84 -27.71 44.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.579 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -81.85 -38.98 24.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.506 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.41 ' O ' ' C ' ' A' ' 99' ' ' MET . 99.5 m-20 -63.07 -38.71 92.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.567 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . 0.537 ' HB2' HH21 ' A' ' 109' ' ' ARG . 64.6 mtt -38.43 -68.86 0.14 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.552 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.594 ' CD2' ' O ' ' A' ' 100' ' ' PHE . 15.8 p90 -111.27 57.6 0.62 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.617 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.2 t -74.74 -26.76 60.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.588 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . 0.553 ' O ' ' C ' ' A' ' 103' ' ' GLY . 55.1 p-10 -155.59 -18.44 0.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.587 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.553 ' C ' ' O ' ' A' ' 102' ' ' ASP . . . -26.33 -80.73 0.01 OUTLIER Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . 0.608 ' O ' ' CG ' ' A' ' 105' ' ' PHE . 8.7 m-20 174.52 34.41 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.749 0.309 . . . . 0.0 110.504 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.608 ' CG ' ' O ' ' A' ' 104' ' ' ASN . 30.6 p90 42.69 29.14 0.15 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.543 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.52 ' O ' ' HB2' ' A' ' 107' ' ' TRP . 27.2 p30 -52.28 -110.41 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.575 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' TRP . . . . . 0.546 ' NE1' HG21 ' A' ' 110' ' ' VAL . 6.8 t90 174.58 -26.11 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.552 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . 0.591 ' O ' HG12 ' A' ' 111' ' ' VAL . . . -50.19 -42.03 40.03 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . 0.537 HH21 ' HB2' ' A' ' 99' ' ' MET . 0.0 OUTLIER -48.17 -26.04 1.74 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.779 0.323 . . . . 0.0 110.51 179.939 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.546 HG21 ' NE1' ' A' ' 107' ' ' TRP . 34.0 t -52.65 -57.87 3.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.533 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.591 HG12 ' O ' ' A' ' 108' ' ' GLY . 4.8 p -45.34 -46.74 3.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.55 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.581 ' N ' HG13 ' A' ' 111' ' ' VAL . . . -58.09 -35.02 70.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.555 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.668 ' O ' HD23 ' A' ' 113' ' ' LEU . 1.9 tt -56.92 -46.73 81.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.513 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . 0.459 ' CZ ' ' CG1' ' A' ' 110' ' ' VAL . 9.6 m-85 -57.19 -44.04 83.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.559 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 92.6 t80 -68.13 -43.36 78.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.58 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.45 ' CE2' HG21 ' A' ' 95' ' ' VAL . 92.9 t80 -59.26 -41.78 89.65 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.586 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.518 ' O ' HG23 ' A' ' 121' ' ' VAL . . . -70.99 -32.55 69.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.555 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 4.9 t -48.73 -44.1 38.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.503 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.813 ' O ' ' CB ' ' A' ' 123' ' ' LYS . 56.1 mmtt -60.05 -43.55 95.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.539 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 52.2 mt -68.38 -30.6 69.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.524 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.714 HG13 HG23 ' A' ' 133' ' ' ILE . 52.8 t -77.7 -53.34 14.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.57 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.474 HD22 ' CB ' ' A' ' 35' ' ' ALA . 70.2 mt -73.04 -40.73 64.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.553 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.813 ' CB ' ' O ' ' A' ' 119' ' ' LYS . 41.6 tptt -58.27 -41.19 83.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.539 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.466 ' O ' ' OG1' ' A' ' 127' ' ' THR . . . -75.83 -20.54 58.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.572 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 5.8 tt -64.56 -30.77 71.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.534 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' CYS . . . . . 0.467 ' SG ' ' N ' ' A' ' 127' ' ' THR . 13.9 p -84.6 -35.27 22.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.555 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.564 ' O ' ' CB ' ' A' ' 128' ' ' LYS . 40.4 p -54.61 -17.54 3.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.603 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . 0.564 ' CB ' ' O ' ' A' ' 127' ' ' THR . 24.4 ttpt 85.79 46.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.571 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . 0.539 ' CG2' ' OG1' ' A' ' 127' ' ' THR . 0.2 OUTLIER -148.15 86.91 5.89 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.603 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -69.3 -14.41 37.5 Favored 'Trans proline' 0 C--N 1.306 -1.669 0 C-N-CA 122.813 2.342 . . . . 0.0 112.027 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -64.6 -42.0 95.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.523 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 8.5 mp -60.1 -33.99 72.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.509 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.714 HG23 HG13 ' A' ' 121' ' ' VAL . 21.5 mm -57.05 -50.08 77.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.488 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 83.6 mtp180 -69.14 -34.88 75.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.456 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 7.3 m -67.25 -31.96 72.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.504 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . 0.422 HG21 ' CG2' ' A' ' 121' ' ' VAL . 44.9 mt -69.69 -58.78 4.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.564 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . 0.459 ' SD ' ' NE2' ' A' ' 28' ' ' GLN . 47.0 ttp -46.44 -25.59 0.69 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.552 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -68.61 -40.49 85.88 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' TRP . . . . . 0.515 ' CD1' ' N ' ' A' ' 139' ' ' TRP . 12.7 m0 -66.34 -24.45 66.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.848 0.356 . . . . 0.0 110.565 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' THR . . . . . 0.468 ' OG1' ' N ' ' A' ' 141' ' ' LEU . 24.1 p -75.49 -65.84 0.84 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.501 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . 0.468 ' N ' ' OG1' ' A' ' 140' ' ' THR . 4.1 tp -51.77 -33.65 36.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.558 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -65.84 -51.0 62.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.5 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -66.85 -38.81 87.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.55 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.565 HD12 ' HB2' ' A' ' 148' ' ' LEU . 1.7 tp -71.16 -35.48 71.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.518 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 59.0 ttp180 -83.08 -10.56 58.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.539 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -112.05 -4.73 14.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.59 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . 1.152 ' O ' ' N ' ' A' ' 149' ' ' LEU . 17.1 mtp180 -142.11 -110.9 0.13 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.581 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . 0.813 ' H ' HD22 ' A' ' 148' ' ' LEU . 1.0 OUTLIER -15.35 -27.75 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.589 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . 1.152 ' N ' ' O ' ' A' ' 147' ' ' ARG . 44.4 tp -49.04 -56.35 9.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.559 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -63.89 -50.7 59.24 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 151' ' ' TRP . . . . . . . . . . . . . 99.6 m95 -66.24 -55.91 13.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.768 0.318 . . . . 0.0 110.538 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 152' ' ' ILE . . . . . 0.699 ' N ' ' O ' ' A' ' 148' ' ' LEU . 10.3 tt -51.22 -34.33 14.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.585 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 56.3 tt0 -67.49 -31.12 71.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.61 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 154' ' ' ASP . . . . . 0.436 ' O ' ' OD1' ' A' ' 154' ' ' ASP . 51.3 t0 -89.23 -4.54 58.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.56 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -97.49 0.76 48.14 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.542 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 83.74 24.65 48.95 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 89.77 -160.36 28.73 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.946 -0.861 . . . . 0.0 110.946 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 158' ' ' TRP . . . . . 0.46 ' CD1' HD11 ' A' ' 152' ' ' ILE . 36.0 m95 -73.95 -5.69 42.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.793 0.33 . . . . 0.0 110.514 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -60.92 -42.36 97.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.611 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -54.54 -32.05 52.84 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . 0.579 HD23 ' O ' ' A' ' 161' ' ' LEU . 2.1 tt -63.01 -54.07 44.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.812 0.339 . . . . 0.0 110.524 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 5.9 tp -67.15 -30.94 71.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.589 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 5.3 t -66.9 -26.04 66.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.533 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 93.6 t80 -76.93 -42.53 38.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.543 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -71.68 48.07 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.621 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -131.11 39.16 1.82 Allowed Glycine 0 CA--C 1.526 0.759 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 167' ' ' THR . . . . . 0.992 ' OG1' ' HD2' ' A' ' 168' ' ' PRO . 0.6 OUTLIER -108.52 178.7 0.99 Allowed Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 120.969 0.414 . . . . 0.0 110.498 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 168' ' ' PRO . . . . . 0.992 ' HD2' ' OG1' ' A' ' 167' ' ' THR . 42.8 Cg_endo -71.45 -144.94 0.02 OUTLIER 'Trans proline' 0 C--N 1.306 -1.659 0 C-N-CA 122.754 2.302 . . . . 0.0 112.122 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 169' ' ' THR . . . . . 0.58 ' C ' ' O ' ' A' ' 168' ' ' PRO . 19.9 p -24.24 102.5 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.537 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 170' ' ' TRP . . . . . 0.692 ' O ' HG22 ' A' ' 173' ' ' VAL . 29.3 p90 -65.57 -18.54 65.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.579 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 171' ' ' GLN . . . . . 0.526 ' NE2' ' OG1' ' A' ' 172' ' ' THR . 5.4 pp0? -47.34 -14.17 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.545 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 172' ' ' THR . . . . . 0.526 ' OG1' ' NE2' ' A' ' 171' ' ' GLN . 5.0 m -86.82 -29.46 22.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.632 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 173' ' ' VAL . . . . . 0.692 HG22 ' O ' ' A' ' 170' ' ' TRP . 2.0 m -72.08 -45.74 61.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.581 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 174' ' ' THR . . . . . 0.562 ' N ' ' CG2' ' A' ' 173' ' ' VAL . 25.1 m -64.47 -25.01 67.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.598 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 175' ' ' ILE . . . . . 0.557 ' O ' HG22 ' A' ' 175' ' ' ILE . 88.9 mt -85.71 -7.49 10.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.607 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 176' ' ' PHE . . . . . 0.483 ' O ' HG12 ' A' ' 180' ' ' VAL . 63.5 t80 -94.68 -60.05 1.79 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.534 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 3.3 m -62.11 -16.7 16.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.533 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 178' ' ' ALA . . . . . 0.614 ' O ' ' OG1' ' A' ' 182' ' ' THR . . . -95.59 -45.95 6.84 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.562 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -62.34 -26.14 67.58 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 180' ' ' VAL . . . . . 0.698 HG13 ' N ' ' A' ' 181' ' ' LEU . 13.7 p -86.23 -51.77 12.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.886 0.374 . . . . 0.0 110.604 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 181' ' ' LEU . . . . . 0.698 ' N ' HG13 ' A' ' 180' ' ' VAL . 42.5 tp -69.25 -48.03 63.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.544 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 182' ' ' THR . . . . . 0.614 ' OG1' ' O ' ' A' ' 178' ' ' ALA . 26.8 m -50.54 -51.35 48.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.573 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -47.33 -45.74 24.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.562 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 184' ' ' SER . . . . . . . . . . . . . 27.5 t -54.4 -37.92 65.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.574 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 62.6 mt -77.67 -21.6 51.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.529 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 20.9 m -73.29 -44.87 58.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.557 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 187' ' ' ILE . . . . . 0.636 HG23 ' N ' ' A' ' 188' ' ' TRP . 12.2 tt -73.68 -51.61 24.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.56 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 188' ' ' TRP . . . . . 0.777 ' HE1' ' NE ' ' A' ' 94' ' ' ARG . 7.0 t90 -30.75 -56.95 0.22 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.541 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 7.5 mmtt -175.68 128.29 0.25 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.564 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 190' ' ' LYS . . . . . . . . . . . . . 14.8 ptmt -110.0 89.6 3.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.534 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 191' ' ' MET . . . . . . . . . . . . . 84.3 mtp -128.62 136.56 50.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.503 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.693 0 CA-C-O 118.007 -1.441 . . . . 0.0 110.941 -179.99 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.823 ' O ' HD12 ' A' ' 19' ' ' ILE . 18.5 p . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.855 0.36 . . . . 0.0 110.545 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 57.7 m -92.58 -16.59 25.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.545 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -93.11 -47.28 7.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.536 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.632 HE22 ' CG2' ' A' ' 22' ' ' THR . 3.2 tm0? -59.73 -31.32 69.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.416 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.823 HD12 ' O ' ' A' ' 15' ' ' SER . 68.2 mt -75.66 -51.67 20.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.511 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 52.0 ttp -56.9 -36.41 70.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.624 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -67.92 -44.05 77.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.638 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.632 ' CG2' HE22 ' A' ' 18' ' ' GLN . 41.1 p -72.73 -13.48 61.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.58 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -74.86 -54.28 5.92 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.34 -10.33 59.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.756 0.313 . . . . 0.0 110.588 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.596 HD23 ' C ' ' A' ' 25' ' ' LEU . 6.6 tt -86.56 -78.4 0.29 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.556 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.53 ' C ' ' O ' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -29.17 -64.4 0.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.551 -179.952 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.408 ' O ' HG13 ' A' ' 31' ' ' ILE . 56.8 mt -52.47 -56.79 12.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.52 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.444 ' HA ' HD12 ' A' ' 31' ' ' ILE . 7.5 tp-100 -48.4 -18.02 0.2 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.575 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.532 ' O ' ' N ' ' A' ' 31' ' ' ILE . . . -88.63 -72.4 1.28 Allowed Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -42.51 -18.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.834 0.349 . . . . 0.0 110.58 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.532 ' N ' ' O ' ' A' ' 29' ' ' GLY . 94.2 mt -77.0 -69.02 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.568 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 43.7 tt0 -79.08 29.83 0.21 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.555 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.42 ' CG ' ' O ' ' A' ' 29' ' ' GLY . 97.9 m-20 -112.77 -51.17 2.85 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.548 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 -91.2 -26.98 18.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.528 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.47 ' CB ' HD22 ' A' ' 122' ' ' LEU . . . -99.21 -12.78 20.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.57 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.656 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 179.994 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo . . . . . 0 N--CA 1.492 1.417 0 CA-C-O 120.771 0.238 . . . . 0.0 112.106 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 63.2 mt-10 -88.61 -12.1 43.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.637 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.985 ' N ' HD22 ' A' ' 45' ' ' LEU . 0.4 OUTLIER -100.48 67.23 1.3 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.576 -179.946 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.404 ' O ' ' HB2' ' A' ' 47' ' ' LEU . . . -76.88 141.65 40.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.566 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.404 ' HB2' ' O ' ' A' ' 46' ' ' ALA . 23.5 tp . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.535 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.772 0.32 . . . . 0.0 110.614 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -86.4 -1.91 57.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.585 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 35.0 t -59.66 -39.71 85.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.603 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 41.0 p -82.7 -33.69 27.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.542 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -50.06 -54.81 17.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.554 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 31.0 ttpt -59.76 -47.99 83.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.621 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.61 HD21 ' HB2' ' A' ' 162' ' ' LEU . 6.5 mt -61.68 -26.25 67.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.564 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.6 t -71.44 -35.28 70.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.576 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -64.04 -31.57 72.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.538 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.446 ' O ' HG22 ' A' ' 66' ' ' ILE . 94.4 m -64.44 -37.67 88.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.593 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.463 HD12 ' N ' ' A' ' 63' ' ' LEU . 11.0 mp -75.5 -24.54 56.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.522 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.1 ttpm? -84.32 -36.53 22.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.625 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.439 ' O ' ' OE2' ' A' ' 69' ' ' GLU . 99.7 mtt180 -68.64 -44.45 74.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.558 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.446 HG22 ' O ' ' A' ' 62' ' ' CYS . 20.7 tt -76.48 -35.03 25.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.54 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.426 ' O ' ' CB ' ' A' ' 71' ' ' ASP . . . -61.04 -45.48 96.5 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.419 ' O ' ' OD1' ' A' ' 68' ' ' ASP . 67.8 t0 -62.69 -34.38 77.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.765 0.317 . . . . 0.0 110.54 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.542 ' N ' ' OE1' ' A' ' 69' ' ' GLU . 0.3 OUTLIER -79.6 -58.47 3.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.622 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.15 -43.0 73.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.575 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.426 ' CB ' ' O ' ' A' ' 67' ' ' GLY . 51.0 t0 -65.12 -8.71 17.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.546 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.4 t -96.41 7.14 47.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.63 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -93.05 111.5 23.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.542 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 58.4 mtt -68.27 -11.34 59.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.569 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -80.22 -67.38 0.77 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.591 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.7 tp -59.73 -40.3 87.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.575 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 14.4 tm0? -61.8 -37.96 86.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.571 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 75.3 ttt180 -68.41 -44.96 73.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.598 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.44 ' SD ' HG23 ' A' ' 182' ' ' THR . 65.2 mtp -54.51 -43.86 72.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.617 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.641 ' O ' HG12 ' A' ' 83' ' ' VAL . 84.8 mt -62.49 -23.6 32.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.569 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -86.12 -18.67 31.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.547 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -86.54 -15.36 40.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.577 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.873 HG13 ' O ' ' A' ' 83' ' ' VAL . 7.7 p -89.49 82.83 2.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.567 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.422 ' O ' ' O ' ' A' ' 83' ' ' VAL . 40.8 p-10 -40.62 162.52 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.581 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 23.0 p -119.87 119.89 34.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.56 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -148.62 -0.65 0.54 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.462 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.691 ' O ' HG12 ' A' ' 91' ' ' VAL . 36.3 t -175.51 87.42 0.3 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.493 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.512 ' O ' ' CB ' ' A' ' 92' ' ' PHE . 34.5 Cg_endo -67.76 -16.21 45.74 Favored 'Trans proline' 0 C--N 1.306 -1.702 0 C-N-CA 122.757 2.305 . . . . 0.0 112.068 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 36.8 ptt-85 -85.14 -35.74 21.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.497 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -78.0 -57.51 3.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.469 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.691 HG12 ' O ' ' A' ' 87' ' ' SER . 9.5 p -57.18 -51.42 69.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.548 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.658 ' N ' HG13 ' A' ' 91' ' ' VAL . 84.4 t80 -46.09 -52.31 12.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.481 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -67.56 -30.67 70.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.508 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 16.1 tpp180 -71.22 -58.14 3.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.539 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.626 HG23 ' N ' ' A' ' 96' ' ' ALA . 27.1 m -59.14 -48.22 87.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.495 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.626 ' N ' HG23 ' A' ' 95' ' ' VAL . . . -54.96 -27.69 45.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.532 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -81.94 -38.87 24.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.518 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 99' ' ' MET . 99.9 m-20 -63.16 -38.7 92.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.583 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . 0.537 ' HB2' HH21 ' A' ' 109' ' ' ARG . 61.9 mtt -38.3 -68.94 0.13 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.551 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.6 ' CD2' ' O ' ' A' ' 100' ' ' PHE . 16.4 p90 -111.28 57.64 0.62 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.594 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.2 t -74.8 -26.79 59.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.551 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . 0.533 ' O ' ' C ' ' A' ' 103' ' ' GLY . 55.6 p-10 -155.63 -18.36 0.11 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.543 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.533 ' C ' ' O ' ' A' ' 102' ' ' ASP . . . -26.28 -80.73 0.01 OUTLIER Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . 0.605 ' O ' ' CG ' ' A' ' 105' ' ' PHE . 28.3 t-20 174.53 34.34 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.784 0.326 . . . . 0.0 110.605 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.605 ' CG ' ' O ' ' A' ' 104' ' ' ASN . 27.8 p90 42.7 29.0 0.14 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.614 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.523 ' O ' ' HB2' ' A' ' 107' ' ' TRP . 28.4 p30 -52.08 -110.47 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.609 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' TRP . . . . . 0.537 ' NE1' HG21 ' A' ' 110' ' ' VAL . 6.7 t90 174.61 -26.14 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.572 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . 0.589 ' O ' HG12 ' A' ' 111' ' ' VAL . . . -50.12 -42.08 39.49 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . 0.537 HH21 ' HB2' ' A' ' 99' ' ' MET . 0.0 OUTLIER -48.15 -26.05 1.73 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.775 0.321 . . . . 0.0 110.544 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.537 HG21 ' NE1' ' A' ' 107' ' ' TRP . 37.7 t -52.62 -57.86 3.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.561 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.589 HG12 ' O ' ' A' ' 108' ' ' GLY . 4.6 p -45.28 -46.77 3.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.563 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.579 ' N ' HG13 ' A' ' 111' ' ' VAL . . . -58.13 -34.98 70.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.592 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.662 ' O ' HD23 ' A' ' 113' ' ' LEU . 1.9 tt -56.94 -46.68 81.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.584 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . 0.43 ' CZ ' ' CG1' ' A' ' 110' ' ' VAL . 10.2 m-85 -57.22 -43.99 83.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.616 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 90.7 t80 -68.15 -43.53 78.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.52 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.45 ' CE2' HG21 ' A' ' 95' ' ' VAL . 92.5 t80 -59.02 -41.92 88.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.566 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -70.93 -32.61 69.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.518 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 5.3 t -48.56 -44.23 36.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.605 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.82 ' O ' ' CB ' ' A' ' 123' ' ' LYS . 56.2 mmtt -59.98 -43.62 95.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.516 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 53.1 mt -68.03 -31.32 70.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.51 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.425 ' CG2' HG21 ' A' ' 136' ' ' ILE . 78.2 t -77.06 -53.66 14.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.523 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.47 HD22 ' CB ' ' A' ' 35' ' ' ALA . 68.4 mt -72.86 -40.91 65.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.515 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.82 ' CB ' ' O ' ' A' ' 119' ' ' LYS . 88.8 tttt -57.99 -41.11 82.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.567 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -75.73 -21.88 57.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.516 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 6.5 tt -63.04 -32.3 73.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.599 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 9.6 t -83.24 -35.48 25.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.605 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.747 ' O ' ' HB2' ' A' ' 128' ' ' LYS . 53.8 m -53.71 -19.23 3.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.574 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . 0.747 ' HB2' ' O ' ' A' ' 127' ' ' THR . 54.4 mttp 87.51 45.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.531 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . 0.517 HG23 ' O ' ' A' ' 129' ' ' VAL . 16.8 m -148.4 87.89 5.52 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.598 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -69.56 -15.04 37.62 Favored 'Trans proline' 0 C--N 1.304 -1.816 0 C-N-CA 122.799 2.333 . . . . 0.0 112.029 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -63.78 -41.73 97.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.498 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 9.3 mp -60.55 -34.18 73.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.481 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 99.7 mt -56.79 -50.06 76.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.507 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . 0.443 ' O ' ' HG3' ' A' ' 137' ' ' MET . 79.4 mtp85 -69.24 -34.83 75.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.457 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 7.1 m -67.24 -31.91 72.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.484 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . 0.425 HG21 ' CG2' ' A' ' 121' ' ' VAL . 47.2 mt -69.68 -58.76 4.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.601 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . 0.48 ' C ' ' SD ' ' A' ' 137' ' ' MET . 0.0 OUTLIER -46.54 -25.46 0.69 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.504 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -68.73 -40.4 85.42 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.911 -0.875 . . . . 0.0 110.911 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 139' ' ' TRP . . . . . 0.511 ' CD1' ' N ' ' A' ' 139' ' ' TRP . 13.2 m0 -66.36 -24.46 66.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.809 0.338 . . . . 0.0 110.529 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 140' ' ' THR . . . . . 0.503 ' OG1' ' N ' ' A' ' 141' ' ' LEU . 15.8 p -75.49 -65.86 0.84 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.53 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . 0.503 ' N ' ' OG1' ' A' ' 140' ' ' THR . 52.5 mt -51.76 -33.7 36.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.511 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -65.79 -50.99 62.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.5 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . 0.431 ' O ' ' HB2' ' A' ' 147' ' ' ARG . 5.6 t80 -66.84 -38.86 87.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.612 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.575 HD12 ' HB2' ' A' ' 148' ' ' LEU . 2.0 tp -71.09 -35.47 71.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.531 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 59.2 ttp180 -83.07 -10.6 58.62 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.537 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -111.97 -4.67 14.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.561 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . 1.152 ' O ' ' N ' ' A' ' 149' ' ' LEU . 12.2 mtp180 -142.17 -110.98 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.537 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . 0.807 ' H ' HD22 ' A' ' 148' ' ' LEU . 1.0 OUTLIER -15.37 -27.73 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.516 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . 1.152 ' N ' ' O ' ' A' ' 147' ' ' ARG . 42.4 tp -49.18 -56.26 9.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.509 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -63.97 -50.61 59.61 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 151' ' ' TRP . . . . . . . . . . . . . 99.9 m95 -66.32 -55.8 14.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.764 0.316 . . . . 0.0 110.544 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 152' ' ' ILE . . . . . 0.697 ' N ' ' O ' ' A' ' 148' ' ' LEU . 10.3 tt -51.28 -34.26 14.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.566 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . 0.4 ' HB2' ' O ' ' A' ' 149' ' ' LEU . 11.9 tp-100 -67.51 -31.3 71.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.561 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -89.07 -4.52 58.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.536 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -97.47 0.73 48.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.594 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 83.64 24.75 49.02 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 89.75 -160.32 28.73 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 158' ' ' TRP . . . . . 0.483 ' CD1' HD11 ' A' ' 152' ' ' ILE . 32.2 m95 -73.98 -5.62 42.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.775 0.322 . . . . 0.0 110.513 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -60.91 -42.42 98.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.564 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -54.41 -32.18 51.98 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . 0.593 HD23 ' O ' ' A' ' 161' ' ' LEU . 2.0 tt -62.95 -54.06 44.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.804 0.335 . . . . 0.0 110.555 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 162' ' ' LEU . . . . . 0.61 ' HB2' HD21 ' A' ' 59' ' ' LEU . 45.6 tp -67.09 -30.98 71.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.617 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 4.9 t -66.87 -26.12 66.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.599 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 93.9 t80 -76.79 -42.68 39.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.52 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -71.53 48.18 0.14 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.569 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -131.36 39.27 1.8 Allowed Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 167' ' ' THR . . . . . 1.029 ' OG1' ' HD2' ' A' ' 168' ' ' PRO . 0.6 OUTLIER -108.71 179.25 0.88 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 120.898 0.38 . . . . 0.0 110.584 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 168' ' ' PRO . . . . . 1.029 ' HD2' ' OG1' ' A' ' 167' ' ' THR . 46.3 Cg_endo -71.98 -146.44 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.733 0 C-N-CA 122.836 2.357 . . . . 0.0 112.091 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 169' ' ' THR . . . . . 0.592 ' C ' ' O ' ' A' ' 168' ' ' PRO . 38.1 p -22.91 102.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.502 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 170' ' ' TRP . . . . . 0.681 ' O ' HG22 ' A' ' 173' ' ' VAL . 26.0 p90 -65.3 -18.63 65.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.552 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 171' ' ' GLN . . . . . 0.54 ' NE2' ' OG1' ' A' ' 172' ' ' THR . 5.4 pp0? -46.9 -14.23 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.558 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 172' ' ' THR . . . . . 0.54 ' OG1' ' NE2' ' A' ' 171' ' ' GLN . 96.9 m -87.0 -29.53 21.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.574 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 173' ' ' VAL . . . . . 0.681 HG22 ' O ' ' A' ' 170' ' ' TRP . 2.0 m -72.05 -45.65 62.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.639 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 174' ' ' THR . . . . . 0.567 ' N ' ' CG2' ' A' ' 173' ' ' VAL . 24.7 m -64.59 -24.89 67.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.553 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 175' ' ' ILE . . . . . 0.515 HG22 ' O ' ' A' ' 172' ' ' THR . 1.6 tt -85.8 -7.5 10.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.561 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 176' ' ' PHE . . . . . 0.481 ' O ' HG12 ' A' ' 180' ' ' VAL . 64.8 t80 -94.67 -60.13 1.77 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.546 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 3.2 m -62.14 -16.63 16.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.604 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 178' ' ' ALA . . . . . 0.622 ' O ' ' OG1' ' A' ' 182' ' ' THR . . . -95.63 -45.88 6.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.485 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -62.39 -26.05 67.56 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 180' ' ' VAL . . . . . 0.7 HG13 ' N ' ' A' ' 181' ' ' LEU . 13.7 p -86.31 -51.78 12.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.856 0.36 . . . . 0.0 110.497 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 181' ' ' LEU . . . . . 0.7 ' N ' HG13 ' A' ' 180' ' ' VAL . 60.0 tp -69.27 -47.99 63.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.57 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 182' ' ' THR . . . . . 0.622 ' OG1' ' O ' ' A' ' 178' ' ' ALA . 25.9 m -50.48 -51.36 47.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.602 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -47.35 -45.68 25.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.599 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 184' ' ' SER . . . . . . . . . . . . . 27.9 t -54.57 -37.76 65.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.587 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 64.2 mt -77.68 -21.69 51.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.551 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 20.7 m -73.24 -44.83 58.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.59 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 187' ' ' ILE . . . . . 0.64 HG23 ' N ' ' A' ' 188' ' ' TRP . 12.5 tt -73.73 -51.66 23.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.584 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 188' ' ' TRP . . . . . 0.64 ' N ' HG23 ' A' ' 187' ' ' ILE . 0.2 OUTLIER -30.63 -56.99 0.21 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.622 179.936 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 7.8 mmtt -175.75 128.3 0.24 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.588 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 190' ' ' LYS . . . . . . . . . . . . . 14.2 ptmt -109.89 89.55 3.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.573 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 191' ' ' MET . . . . . . . . . . . . . 83.1 mtp -128.63 136.6 50.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.499 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.719 0 CA-C-O 118.031 -1.427 . . . . 0.0 110.957 179.991 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.998 ' O ' ' CD1' ' A' ' 19' ' ' ILE . 5.8 p . . . . . 0 N--CA 1.458 -0.07 0 CA-C-O 120.823 0.344 . . . . 0.0 110.652 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 56.4 m -98.73 -16.46 18.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.617 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -83.49 -48.46 10.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.625 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 58.2 tt0 -66.4 -22.54 66.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.609 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.998 ' CD1' ' O ' ' A' ' 15' ' ' SER . 69.0 mt -82.11 -56.13 6.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.613 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 60.8 ttp -52.38 -36.87 54.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.451 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 27.4 mmtp -66.91 -46.67 74.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.558 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.479 HG22 ' O ' ' A' ' 22' ' ' THR . 56.6 m -71.95 -7.44 48.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.582 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -79.91 -54.04 4.03 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.563 ' O ' ' OE1' ' A' ' 28' ' ' GLN . . . -78.43 -9.11 59.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.782 0.325 . . . . 0.0 110.516 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.617 HD23 ' C ' ' A' ' 25' ' ' LEU . 5.3 tt -86.71 -81.14 0.23 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.562 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.613 HD22 ' OG1' ' A' ' 56' ' ' THR . 0.1 OUTLIER -26.47 -65.95 0.06 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.53 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.555 ' O ' HG12 ' A' ' 31' ' ' ILE . 11.0 mp -51.08 -58.02 7.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.577 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.585 ' OE1' ' N ' ' A' ' 28' ' ' GLN . 4.1 mp0 -47.38 -17.93 0.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.529 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.543 ' O ' ' N ' ' A' ' 31' ' ' ILE . . . -88.76 -72.87 1.28 Allowed Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 42.8 t80 -42.03 -18.84 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.727 0.299 . . . . 0.0 110.579 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.555 HG12 ' O ' ' A' ' 27' ' ' LEU . 31.7 mm -76.97 -69.3 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.532 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.414 ' O ' ' CD ' ' A' ' 32' ' ' GLN . 0.0 OUTLIER -78.82 30.07 0.2 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.59 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.416 ' H ' ' C ' ' A' ' 31' ' ' ILE . 64.8 t0 -112.96 -50.97 2.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.63 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.486 ' NH2' ' OD2' ' A' ' 71' ' ' ASP . 15.9 ptm180 -91.4 -27.0 18.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.586 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.471 ' CB ' HD22 ' A' ' 122' ' ' LEU . . . -99.23 -12.64 20.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.531 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.637 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.975 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo . . . . . 0 N--CA 1.491 1.373 0 CA-C-O 120.769 0.237 . . . . 0.0 112.105 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -91.33 -13.54 32.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.517 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 1.032 ' N ' HD22 ' A' ' 45' ' ' LEU . 0.2 OUTLIER -99.7 68.28 1.53 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.622 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.753 ' HB3' HH22 ' A' ' 134' ' ' ARG . . . -75.33 137.27 41.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.634 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.504 ' CG ' ' O ' ' A' ' 46' ' ' ALA . 1.1 mt . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.583 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.723 ' O ' ' OD1' ' A' ' 53' ' ' ASP . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.815 0.34 . . . . 0.0 110.487 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -72.88 -6.56 45.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.566 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 84.5 p -57.68 -39.02 76.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.562 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.613 ' OG1' HD22 ' A' ' 26' ' ' LEU . 9.0 t -82.67 -33.85 27.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.525 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 55.2 tttp -50.46 -54.59 20.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.546 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 29.5 ttpt -60.19 -47.46 85.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.576 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.627 HD23 ' O ' ' A' ' 59' ' ' LEU . 0.8 OUTLIER -62.15 -26.38 68.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.577 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 6.1 t -71.3 -35.46 71.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.548 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -63.72 -31.77 73.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.556 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.425 ' O ' HG22 ' A' ' 66' ' ' ILE . 93.7 m -64.27 -37.78 88.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.59 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.451 HD12 ' N ' ' A' ' 63' ' ' LEU . 10.6 mp -75.35 -24.69 57.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.572 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -84.21 -36.68 22.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.589 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.435 ' O ' ' OE2' ' A' ' 69' ' ' GLU . 94.9 mtt180 -68.47 -44.44 74.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.632 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.425 HG22 ' O ' ' A' ' 62' ' ' CYS . 20.4 tt -76.47 -35.07 25.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.55 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.426 ' O ' ' CB ' ' A' ' 71' ' ' ASP . . . -61.08 -45.36 96.74 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.969 -0.853 . . . . 0.0 110.969 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.461 ' O ' ' OD1' ' A' ' 68' ' ' ASP . 67.7 t0 -62.79 -34.32 77.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.767 0.317 . . . . 0.0 110.512 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.545 ' N ' ' OE1' ' A' ' 69' ' ' GLU . 0.3 OUTLIER -79.57 -58.55 3.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.584 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.482 HD22 HD23 ' A' ' 76' ' ' LEU . 1.3 mt -55.13 -43.07 73.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.549 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.486 ' OD2' ' NH2' ' A' ' 34' ' ' ARG . 53.8 t0 -65.08 -8.71 17.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.561 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.5 t -96.4 7.03 47.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.574 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -92.97 111.5 23.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.485 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 80.3 mmm -68.29 -11.26 59.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.535 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 -80.34 -67.22 0.79 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.578 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.482 HD23 HD22 ' A' ' 70' ' ' LEU . 58.4 tp -59.82 -40.34 88.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.627 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -61.76 -37.87 85.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.585 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 74.6 ttt180 -68.5 -44.93 73.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.568 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.484 ' SD ' HG23 ' A' ' 182' ' ' THR . 74.2 mtp -54.5 -43.99 72.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.55 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.413 ' O ' ' CG1' ' A' ' 83' ' ' VAL . 87.0 mt -62.28 -23.8 33.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.616 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -85.91 -18.72 31.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.623 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -86.5 -15.32 40.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.587 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.653 ' O ' HG22 ' A' ' 83' ' ' VAL . 1.7 p -89.5 82.89 2.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.494 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.422 ' N ' ' OD1' ' A' ' 84' ' ' ASP . 33.1 p-10 -41.08 162.08 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.583 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 77.9 p -119.23 119.77 35.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.586 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 53.3 p-10 -148.18 -0.79 0.58 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.447 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.664 ' O ' HG12 ' A' ' 91' ' ' VAL . 33.2 t -175.42 87.32 0.3 Allowed Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.489 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.502 ' O ' ' CB ' ' A' ' 92' ' ' PHE . 33.3 Cg_endo -67.54 -16.12 46.46 Favored 'Trans proline' 0 C--N 1.304 -1.764 0 C-N-CA 122.825 2.35 . . . . 0.0 112.103 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 34.4 ptt-85 -84.91 -36.3 21.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.563 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -77.21 -58.75 3.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.529 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.672 HG13 ' N ' ' A' ' 92' ' ' PHE . 10.3 p -55.99 -52.19 52.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.459 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.672 ' N ' HG13 ' A' ' 91' ' ' VAL . 81.2 t80 -45.31 -52.83 9.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.556 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 81.1 t80 -67.72 -30.15 69.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.488 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.753 ' NE ' ' HE1' ' A' ' 188' ' ' TRP . 27.2 ttp180 -71.74 -57.25 4.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.544 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.625 HG23 ' N ' ' A' ' 96' ' ' ALA . 26.4 m -60.19 -47.97 89.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.48 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.625 ' N ' HG23 ' A' ' 95' ' ' VAL . . . -54.99 -27.74 46.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.542 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -81.72 -38.91 25.04 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.578 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 99' ' ' MET . 99.3 m-20 -63.21 -38.64 91.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.546 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . 0.551 ' HB2' HH21 ' A' ' 109' ' ' ARG . 65.0 mtt -38.36 -68.88 0.14 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.567 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.605 ' CD2' ' O ' ' A' ' 100' ' ' PHE . 16.3 p90 -111.24 57.53 0.62 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.604 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.2 t -74.71 -26.78 60.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.575 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . 0.538 ' O ' ' C ' ' A' ' 103' ' ' GLY . 54.3 p-10 -155.61 -18.35 0.11 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.512 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.538 ' C ' ' O ' ' A' ' 102' ' ' ASP . . . -26.36 -80.7 0.01 OUTLIER Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . 0.605 ' O ' ' CG ' ' A' ' 105' ' ' PHE . 28.7 t-20 174.52 34.4 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.821 0.343 . . . . 0.0 110.617 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.605 ' CG ' ' O ' ' A' ' 104' ' ' ASN . 27.5 p90 42.58 29.13 0.14 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.577 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.519 ' O ' ' HB2' ' A' ' 107' ' ' TRP . 27.6 p30 -52.1 -110.45 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.542 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' TRP . . . . . 0.548 ' NE1' HG21 ' A' ' 110' ' ' VAL . 6.8 t90 174.57 -26.16 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.534 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . 0.59 ' O ' HG12 ' A' ' 111' ' ' VAL . . . -50.17 -42.12 39.96 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . 0.551 HH21 ' HB2' ' A' ' 99' ' ' MET . 0.0 OUTLIER -48.13 -26.06 1.72 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.762 0.315 . . . . 0.0 110.527 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.548 HG21 ' NE1' ' A' ' 107' ' ' TRP . 36.6 t -52.61 -57.88 3.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.481 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.59 HG12 ' O ' ' A' ' 108' ' ' GLY . 4.7 p -45.33 -46.73 3.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.538 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.58 ' N ' HG13 ' A' ' 111' ' ' VAL . . . -58.07 -35.04 70.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.556 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.673 ' O ' HD23 ' A' ' 113' ' ' LEU . 2.1 tt -56.94 -46.72 81.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.513 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . 0.445 ' CZ ' ' CG1' ' A' ' 110' ' ' VAL . 9.9 m-85 -57.19 -44.07 83.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.577 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 91.9 t80 -67.98 -43.58 78.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.57 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.447 ' CE2' HG21 ' A' ' 95' ' ' VAL . 92.5 t80 -59.11 -41.85 89.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.643 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.466 ' O ' HG23 ' A' ' 121' ' ' VAL . . . -70.94 -32.52 69.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.575 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 4.8 t -48.62 -44.25 37.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.531 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.816 ' O ' ' CB ' ' A' ' 123' ' ' LYS . 54.9 mmtt -60.0 -43.66 95.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.54 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 55.2 mt -68.08 -31.06 70.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.547 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.723 HG13 HG23 ' A' ' 133' ' ' ILE . 57.7 t -77.28 -53.54 14.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.546 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.471 HD22 ' CB ' ' A' ' 35' ' ' ALA . 69.7 mt -72.93 -40.83 65.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.547 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.816 ' CB ' ' O ' ' A' ' 119' ' ' LYS . 64.4 tttm -58.13 -41.09 82.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.572 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.513 ' O ' ' OG1' ' A' ' 127' ' ' THR . . . -75.88 -21.17 57.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.602 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 6.2 tt -63.89 -31.47 72.66 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.574 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 8.4 t -84.35 -34.77 23.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.573 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.724 ' O ' ' HB2' ' A' ' 128' ' ' LYS . 33.2 p -54.22 -18.89 4.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.559 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . 0.724 ' HB2' ' O ' ' A' ' 127' ' ' THR . 17.6 mtpp 87.56 44.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.594 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . 0.487 ' CG2' ' OG1' ' A' ' 127' ' ' THR . 0.3 OUTLIER -148.11 88.23 5.53 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.585 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -70.08 -14.93 35.65 Favored 'Trans proline' 0 C--N 1.305 -1.715 0 C-N-CA 122.736 2.291 . . . . 0.0 112.063 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -63.69 -42.26 98.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.516 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 8.4 mp -59.79 -34.11 72.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.538 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.723 HG23 HG13 ' A' ' 121' ' ' VAL . 22.3 mm -56.86 -50.23 76.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.482 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . 0.753 HH22 ' HB3' ' A' ' 46' ' ' ALA . 92.0 mtt-85 -69.01 -34.91 76.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.529 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 14.6 m -67.11 -32.04 72.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.513 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . 0.425 HG21 ' CG2' ' A' ' 121' ' ' VAL . 45.3 mt -69.61 -58.88 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.573 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 3.8 ptt? -46.46 -25.44 0.67 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.552 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -68.65 -40.49 85.69 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -66.29 -24.46 66.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.872 0.367 . . . . 0.0 110.584 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 140' ' ' THR . . . . . 0.469 ' OG1' ' N ' ' A' ' 141' ' ' LEU . 23.2 p -75.58 -65.82 0.85 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.538 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . 0.469 ' N ' ' OG1' ' A' ' 140' ' ' THR . 52.5 mt -51.75 -33.68 35.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.569 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 43.3 t0 -65.68 -51.04 62.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.591 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . 0.482 ' O ' ' HB2' ' A' ' 147' ' ' ARG . 35.4 t80 -66.79 -38.91 87.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.586 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.562 HD12 ' HB2' ' A' ' 148' ' ' LEU . 1.8 tp -71.13 -35.49 71.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.535 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 58.7 ttp180 -83.01 -10.65 58.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.538 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -112.02 -4.56 14.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.566 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . 1.154 ' O ' ' N ' ' A' ' 149' ' ' LEU . 25.9 mmt180 -142.18 -110.85 0.13 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.599 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . 0.828 ' H ' HD22 ' A' ' 148' ' ' LEU . 1.1 mm? -15.36 -27.77 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.568 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . 1.154 ' N ' ' O ' ' A' ' 147' ' ' ARG . 48.5 tp -49.11 -56.31 9.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.581 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -63.92 -50.6 59.81 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 151' ' ' TRP . . . . . . . . . . . . . 99.5 m95 -66.31 -55.81 14.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.719 0.295 . . . . 0.0 110.555 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 152' ' ' ILE . . . . . 0.694 ' N ' ' O ' ' A' ' 148' ' ' LEU . 10.7 tt -51.32 -34.29 14.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.524 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -67.52 -31.19 71.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.539 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 53.7 t0 -89.17 -4.51 58.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.588 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -97.58 0.86 48.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.597 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 83.64 24.6 49.51 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 89.86 -160.25 28.54 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.866 -0.893 . . . . 0.0 110.866 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 158' ' ' TRP . . . . . 0.48 ' CD1' HD11 ' A' ' 152' ' ' ILE . 33.2 m95 -73.93 -5.71 42.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.842 0.353 . . . . 0.0 110.583 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -60.91 -42.44 98.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.557 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -54.48 -32.16 52.44 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . 0.589 HD23 ' O ' ' A' ' 161' ' ' LEU . 2.2 tt -62.9 -54.06 44.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.785 0.326 . . . . 0.0 110.559 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 47.4 tp -67.15 -30.96 71.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.55 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 21.1 t -66.92 -26.13 66.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.54 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 92.8 t80 -76.87 -42.55 39.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.564 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -71.59 48.2 0.14 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.619 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -131.34 39.44 1.77 Allowed Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 167' ' ' THR . . . . . 1.026 ' OG1' ' HD2' ' A' ' 168' ' ' PRO . 0.6 OUTLIER -108.78 179.15 0.89 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 120.876 0.37 . . . . 0.0 110.539 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 168' ' ' PRO . . . . . 1.026 ' HD2' ' OG1' ' A' ' 167' ' ' THR . 44.4 Cg_endo -71.83 -145.77 0.02 OUTLIER 'Trans proline' 0 C--N 1.304 -1.783 0 C-N-CA 122.837 2.358 . . . . 0.0 112.113 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 169' ' ' THR . . . . . 0.585 ' C ' ' O ' ' A' ' 168' ' ' PRO . 29.9 p -23.72 102.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.558 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 170' ' ' TRP . . . . . 0.686 ' O ' HG22 ' A' ' 173' ' ' VAL . 28.6 p90 -65.21 -18.58 65.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.606 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 171' ' ' GLN . . . . . 0.535 ' NE2' ' OG1' ' A' ' 172' ' ' THR . 5.4 pp0? -46.95 -14.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.542 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 172' ' ' THR . . . . . 0.535 ' OG1' ' NE2' ' A' ' 171' ' ' GLN . 98.3 m -86.92 -29.51 22.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.598 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 173' ' ' VAL . . . . . 0.686 HG22 ' O ' ' A' ' 170' ' ' TRP . 2.1 m -72.14 -45.65 61.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.557 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 174' ' ' THR . . . . . 0.568 ' N ' ' CG2' ' A' ' 173' ' ' VAL . 25.8 m -64.5 -24.89 67.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.596 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 175' ' ' ILE . . . . . 0.555 ' O ' HG22 ' A' ' 175' ' ' ILE . 89.5 mt -85.83 -7.42 10.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.612 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 176' ' ' PHE . . . . . 0.485 ' O ' HG12 ' A' ' 180' ' ' VAL . 63.3 t80 -94.69 -60.06 1.79 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.55 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 3.1 m -62.03 -16.79 16.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.581 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 178' ' ' ALA . . . . . 0.63 ' O ' ' OG1' ' A' ' 182' ' ' THR . . . -95.54 -45.87 6.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.537 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -62.37 -26.18 67.67 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 180' ' ' VAL . . . . . 0.697 HG13 ' N ' ' A' ' 181' ' ' LEU . 13.6 p -86.13 -51.76 12.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.889 0.376 . . . . 0.0 110.607 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 181' ' ' LEU . . . . . 0.697 ' N ' HG13 ' A' ' 180' ' ' VAL . 45.0 tp -69.31 -48.01 62.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.563 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 182' ' ' THR . . . . . 0.63 ' OG1' ' O ' ' A' ' 178' ' ' ALA . 24.8 m -50.45 -51.46 46.58 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.585 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -47.32 -45.67 24.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.571 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 184' ' ' SER . . . . . . . . . . . . . 27.7 t -54.5 -37.88 65.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.527 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 62.6 mt -77.63 -21.64 51.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.675 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 21.5 m -73.24 -44.87 58.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.597 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 187' ' ' ILE . . . . . 0.639 HG23 ' N ' ' A' ' 188' ' ' TRP . 12.3 tt -73.7 -51.67 23.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.548 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 188' ' ' TRP . . . . . 0.753 ' HE1' ' NE ' ' A' ' 94' ' ' ARG . 6.7 t90 -30.71 -56.86 0.21 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.59 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 7.6 mmtt -175.83 128.25 0.24 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.556 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 190' ' ' LYS . . . . . . . . . . . . . 14.2 ptmt -109.88 89.52 3.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.575 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 191' ' ' MET . . . . . . . . . . . . . 93.7 mtp -128.56 136.62 50.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.618 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.769 0 CA-C-O 117.981 -1.455 . . . . 0.0 110.944 179.996 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 13.9 p . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.832 0.349 . . . . 0.0 110.605 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.1 m -85.13 -2.89 58.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.585 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.407 ' OE1' ' HA ' ' A' ' 17' ' ' GLU . 66.7 mm-40 -87.96 -48.19 7.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.591 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 68.4 tp60 -68.17 -22.68 64.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.63 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 69.4 mt -82.5 -56.68 5.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.531 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 27.5 ttt -51.93 -36.97 50.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.5 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.486 ' O ' HD13 ' A' ' 25' ' ' LEU . 27.4 mmtp -66.71 -46.91 74.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.502 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.501 HG22 ' O ' ' A' ' 22' ' ' THR . 88.1 m -72.14 -6.48 42.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.531 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -80.69 -54.01 3.83 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.869 ' O ' ' HB3' ' A' ' 28' ' ' GLN . . . -78.72 -8.72 59.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.791 0.329 . . . . 0.0 110.462 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.547 ' O ' ' C ' ' A' ' 26' ' ' LEU . 2.6 mp -86.99 -81.15 0.23 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.55 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.547 ' C ' ' O ' ' A' ' 25' ' ' LEU . 50.3 tp -26.41 -65.94 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.583 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.552 ' N ' HD12 ' A' ' 27' ' ' LEU . 10.6 mp -51.07 -58.08 7.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.569 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.869 ' HB3' ' O ' ' A' ' 24' ' ' ALA . 0.4 OUTLIER -47.27 -17.82 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.554 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.546 ' O ' ' N ' ' A' ' 31' ' ' ILE . . . -88.9 -72.84 1.28 Allowed Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.849 -0.9 . . . . 0.0 110.849 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -42.13 -18.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.798 0.332 . . . . 0.0 110.578 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.546 ' N ' ' O ' ' A' ' 29' ' ' GLY . 71.8 mt -76.98 -69.29 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.505 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.531 ' O ' ' CD ' ' A' ' 32' ' ' GLN . 5.3 pp0? -78.86 30.12 0.2 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.532 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.412 ' H ' ' C ' ' A' ' 31' ' ' ILE . 67.4 t0 -113.03 -50.94 2.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.58 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.428 ' NH2' ' OD2' ' A' ' 71' ' ' ASP . 16.1 ptm180 -91.42 -26.96 18.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.576 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.463 ' CB ' HD22 ' A' ' 122' ' ' LEU . . . -98.9 -13.19 20.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.516 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.71 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 -179.942 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_exo . . . . . 0 N--CA 1.49 1.293 0 CA-C-O 120.774 0.239 . . . . 0.0 112.067 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.68 ' H ' ' CD ' ' A' ' 44' ' ' GLU . 1.4 pm0 -79.32 -19.5 50.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.461 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.484 HD23 ' CG ' ' A' ' 32' ' ' GLN . 14.0 tp -87.58 75.74 9.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.535 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -88.59 131.99 34.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.56 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.424 HD12 ' HA ' ' A' ' 47' ' ' LEU . 18.7 tp . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.595 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.471 ' OD2' ' OG ' ' A' ' 55' ' ' SER . 67.3 t0 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.808 0.337 . . . . 0.0 110.587 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.441 ' N ' ' OD1' ' A' ' 53' ' ' ASP . . . -81.32 -1.18 44.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.585 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.471 ' OG ' ' OD2' ' A' ' 53' ' ' ASP . 77.3 p -61.54 -38.86 88.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.578 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.7 m -83.58 -33.8 25.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.614 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 64.4 mmtt -49.77 -55.17 15.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.558 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 30.5 ttpt -59.32 -48.32 82.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.566 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.626 HD23 ' O ' ' A' ' 59' ' ' LEU . 0.8 OUTLIER -61.44 -26.13 67.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.601 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.4 t -71.63 -35.22 70.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.534 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 76.1 mt-10 -64.13 -31.57 72.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.559 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.441 ' O ' HG22 ' A' ' 66' ' ' ILE . 91.5 m -64.38 -37.79 88.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.591 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.486 HD12 ' N ' ' A' ' 63' ' ' LEU . 8.6 mp -75.33 -24.64 57.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.524 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -84.25 -36.75 22.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.591 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.445 ' O ' ' OE2' ' A' ' 69' ' ' GLU . 99.7 mtt180 -68.45 -44.49 74.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.555 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.441 HG22 ' O ' ' A' ' 62' ' ' CYS . 20.6 tt -76.41 -35.1 26.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.591 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.424 ' O ' ' CB ' ' A' ' 71' ' ' ASP . . . -60.99 -45.44 96.6 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.438 ' O ' ' OD1' ' A' ' 68' ' ' ASP . 68.2 t0 -62.74 -34.29 76.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.747 0.308 . . . . 0.0 110.595 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.534 ' N ' ' OE1' ' A' ' 69' ' ' GLU . 0.3 OUTLIER -79.62 -58.51 3.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.577 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.09 -43.12 73.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.609 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.428 ' OD2' ' NH2' ' A' ' 34' ' ' ARG . 54.0 t0 -65.06 -8.71 17.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.622 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.6 t -96.38 6.99 47.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.559 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -92.94 111.53 23.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.581 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 96.7 mmm -68.36 -11.14 59.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.626 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -80.42 -67.26 0.79 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.542 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 7.3 tp -59.83 -40.26 87.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.585 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 4.3 tm0? -61.8 -37.96 86.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.522 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 76.3 ttt180 -68.45 -44.87 73.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.653 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.488 ' SD ' HG23 ' A' ' 182' ' ' THR . 74.4 mtp -54.51 -43.99 72.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.532 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.644 ' O ' HG12 ' A' ' 83' ' ' VAL . 84.3 mt -62.33 -23.68 32.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.605 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -86.1 -18.68 31.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.576 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -86.43 -15.41 40.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.566 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.887 HG13 ' O ' ' A' ' 83' ' ' VAL . 8.0 p -89.37 82.46 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.566 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.451 ' O ' ' O ' ' A' ' 83' ' ' VAL . 50.1 p30 -39.9 162.76 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.534 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 61.7 p -120.04 118.62 31.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.595 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -147.6 -0.35 0.65 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.528 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.701 ' O ' HG12 ' A' ' 91' ' ' VAL . 31.7 t -176.0 90.11 0.28 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.534 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.485 ' O ' ' CB ' ' A' ' 92' ' ' PHE . 41.0 Cg_endo -70.76 -14.14 32.7 Favored 'Trans proline' 0 C--N 1.304 -1.797 0 C-N-CA 122.792 2.328 . . . . 0.0 112.086 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 33.9 ptt-85 -86.83 -34.46 19.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.484 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -79.55 -57.7 3.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.588 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.701 HG12 ' O ' ' A' ' 87' ' ' SER . 10.1 p -56.87 -51.24 70.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.517 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.66 ' N ' HG13 ' A' ' 91' ' ' VAL . 85.4 t80 -46.42 -51.84 14.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.472 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -68.24 -30.38 69.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.475 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 15.8 tpp180 -71.74 -57.72 4.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.555 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.615 HG23 ' N ' ' A' ' 96' ' ' ALA . 28.5 m -59.47 -47.98 88.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.537 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.615 ' N ' HG23 ' A' ' 95' ' ' VAL . . . -55.22 -27.76 48.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.548 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -81.78 -38.76 25.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.577 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 99' ' ' MET . 99.9 m-20 -63.3 -38.6 91.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.537 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . 0.552 ' HB2' HH21 ' A' ' 109' ' ' ARG . 63.7 mtt -38.48 -68.76 0.14 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.542 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.604 ' CD2' ' O ' ' A' ' 100' ' ' PHE . 17.1 p90 -111.34 57.44 0.63 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.528 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.2 t -74.63 -26.84 60.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.527 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . 0.554 ' O ' ' C ' ' A' ' 103' ' ' GLY . 55.1 p-10 -155.58 -18.39 0.11 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.58 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.554 ' C ' ' O ' ' A' ' 102' ' ' ASP . . . -26.31 -80.71 0.01 OUTLIER Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . 0.607 ' O ' ' CG ' ' A' ' 105' ' ' PHE . 8.5 m-20 174.53 34.34 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.825 0.345 . . . . 0.0 110.598 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.607 ' CG ' ' O ' ' A' ' 104' ' ' ASN . 29.0 p90 42.64 28.97 0.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.57 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.522 ' CG ' ' H ' ' A' ' 107' ' ' TRP . 29.1 p30 -52.09 -110.58 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.548 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' TRP . . . . . 0.548 ' NE1' HG21 ' A' ' 110' ' ' VAL . 6.8 t90 174.8 -26.31 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.583 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . 0.592 ' O ' HG12 ' A' ' 111' ' ' VAL . . . -49.91 -42.2 37.88 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . 0.552 HH21 ' HB2' ' A' ' 99' ' ' MET . 0.0 OUTLIER -48.05 -26.27 1.75 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.851 0.357 . . . . 0.0 110.581 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.548 HG21 ' NE1' ' A' ' 107' ' ' TRP . 33.0 t -52.43 -57.88 3.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.563 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.592 HG12 ' O ' ' A' ' 108' ' ' GLY . 4.7 p -45.31 -46.63 3.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.545 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.574 ' N ' HG13 ' A' ' 111' ' ' VAL . . . -58.21 -35.21 71.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.516 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.668 ' O ' HD23 ' A' ' 113' ' ' LEU . 2.1 tt -56.69 -46.89 80.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.503 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . 0.446 ' CZ ' ' CG1' ' A' ' 110' ' ' VAL . 10.0 m-85 -57.05 -44.17 82.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.471 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 92.7 t80 -68.0 -43.78 78.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.511 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.453 ' CE2' HG21 ' A' ' 95' ' ' VAL . 92.9 t80 -58.89 -41.93 88.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.57 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -70.83 -32.62 69.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.53 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 4.9 t -48.53 -44.6 36.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.593 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.817 ' O ' ' CB ' ' A' ' 123' ' ' LYS . 55.4 mmtt -59.44 -43.69 93.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.578 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 53.7 mt -68.05 -31.68 71.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.544 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.423 ' CG2' HG21 ' A' ' 136' ' ' ILE . 78.6 t -76.83 -53.31 15.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.608 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.463 HD22 ' CB ' ' A' ' 35' ' ' ALA . 71.8 mt -73.03 -41.05 64.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.621 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.817 ' CB ' ' O ' ' A' ' 119' ' ' LYS . 38.6 ttmt -58.09 -41.16 82.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.616 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.519 ' O ' ' OG1' ' A' ' 127' ' ' THR . . . -75.48 -22.14 57.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.56 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.464 HD13 ' HG3' ' A' ' 44' ' ' GLU . 33.8 tp -63.03 -32.06 73.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.513 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' CYS . . . . . 0.474 ' SG ' ' N ' ' A' ' 127' ' ' THR . 0.1 OUTLIER -83.3 -35.79 24.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.494 -179.914 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.742 ' O ' ' HB2' ' A' ' 128' ' ' LYS . 36.0 p -53.45 -18.57 2.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.579 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . 0.742 ' HB2' ' O ' ' A' ' 127' ' ' THR . 53.6 mttp 87.72 43.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.575 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . 0.515 ' CG2' ' OG1' ' A' ' 127' ' ' THR . 0.2 OUTLIER -147.07 91.47 5.14 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.67 -179.944 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' PRO . . . . . 0.973 ' O ' HG12 ' A' ' 133' ' ' ILE . 53.1 Cg_endo -73.6 -12.93 24.81 Favored 'Trans proline' 0 C--N 1.306 -1.702 0 C-N-CA 122.836 2.357 . . . . 0.0 112.039 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 46.5 tt0 -65.94 -40.1 91.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.52 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 8.5 mp -62.1 -33.95 75.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.517 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.973 HG12 ' O ' ' A' ' 130' ' ' PRO . 2.3 pt -56.83 -50.25 75.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.482 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . 0.641 ' N ' ' CG1' ' A' ' 133' ' ' ILE . 42.9 ttm180 -68.86 -34.72 75.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.528 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 8.2 m -67.45 -31.68 72.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.553 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . 0.423 HG21 ' CG2' ' A' ' 121' ' ' VAL . 46.9 mt -70.06 -58.61 5.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.494 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 95.0 mtp -46.65 -25.54 0.74 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.482 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -68.74 -40.36 85.38 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 139' ' ' TRP . . . . . 0.507 ' CD1' ' N ' ' A' ' 139' ' ' TRP . 13.4 m0 -66.32 -24.49 66.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.851 0.357 . . . . 0.0 110.539 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 140' ' ' THR . . . . . 0.478 ' OG1' ' N ' ' A' ' 141' ' ' LEU . 20.3 p -75.51 -65.83 0.85 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.563 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . 0.478 ' N ' ' OG1' ' A' ' 140' ' ' THR . 55.2 mt -51.82 -33.59 36.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.531 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -65.8 -50.97 62.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.599 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . 0.431 ' O ' ' HB2' ' A' ' 147' ' ' ARG . 5.4 t80 -66.84 -38.96 87.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.502 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.581 HD12 ' HB2' ' A' ' 148' ' ' LEU . 1.8 tp -71.04 -35.5 71.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.561 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 59.1 ttp180 -83.01 -10.65 58.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.537 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -112.09 -4.63 14.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.484 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . 1.146 ' O ' ' N ' ' A' ' 149' ' ' LEU . 11.5 mtp180 -142.17 -110.83 0.13 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.584 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . 0.816 ' H ' HD22 ' A' ' 148' ' ' LEU . 1.0 OUTLIER -15.48 -27.73 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.563 -179.951 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . 1.146 ' N ' ' O ' ' A' ' 147' ' ' ARG . 57.3 tp -49.01 -56.31 9.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.683 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -63.91 -50.55 60.23 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 151' ' ' TRP . . . . . . . . . . . . . 99.5 m95 -66.3 -55.79 14.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.87 0.367 . . . . 0.0 110.632 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 152' ' ' ILE . . . . . 0.701 ' N ' ' O ' ' A' ' 148' ' ' LEU . 10.5 tt -51.34 -34.34 14.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.597 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . 0.54 ' OE1' HD11 ' A' ' 149' ' ' LEU . 11.1 mt-30 -67.41 -31.37 71.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.554 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 53.6 t0 -88.92 -4.61 58.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.558 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -97.49 0.8 48.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.582 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 83.69 24.69 49.02 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 89.74 -160.43 28.84 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 158' ' ' TRP . . . . . 0.451 ' CD1' HD11 ' A' ' 152' ' ' ILE . 37.0 m95 -73.79 -5.85 43.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.801 0.334 . . . . 0.0 110.554 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -60.8 -42.42 97.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.539 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -54.45 -32.34 52.44 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . 0.583 HD23 ' O ' ' A' ' 161' ' ' LEU . 2.0 tt -62.72 -54.2 42.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.854 0.359 . . . . 0.0 110.6 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 47.6 tp -66.77 -31.34 71.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.588 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 6.1 t -66.55 -26.68 67.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.531 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 94.1 t80 -76.03 -42.85 46.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.584 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -71.75 47.91 0.15 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.597 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -130.68 39.16 1.83 Allowed Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 167' ' ' THR . . . . . 1.138 ' OG1' ' HD2' ' A' ' 168' ' ' PRO . 0.6 OUTLIER -108.64 -177.24 0.46 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 120.909 0.385 . . . . 0.0 110.564 -179.949 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 168' ' ' PRO . . . . . 1.138 ' HD2' ' OG1' ' A' ' 167' ' ' THR . 58.6 Cg_endo -76.51 -147.38 0.03 OUTLIER 'Trans proline' 0 C--N 1.305 -1.728 0 C-N-CA 122.81 2.34 . . . . 0.0 112.132 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 169' ' ' THR . . . . . 0.602 ' C ' ' O ' ' A' ' 168' ' ' PRO . 80.3 p -21.08 99.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.581 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 170' ' ' TRP . . . . . 0.686 ' O ' HG22 ' A' ' 173' ' ' VAL . 32.4 p90 -63.64 -18.66 64.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.571 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 171' ' ' GLN . . . . . . . . . . . . . 2.6 pp0? -47.02 -13.88 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.589 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 172' ' ' THR . . . . . 0.524 ' O ' HG22 ' A' ' 175' ' ' ILE . 4.7 m -87.47 -29.53 21.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.526 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 173' ' ' VAL . . . . . 0.686 HG22 ' O ' ' A' ' 170' ' ' TRP . 2.0 m -72.05 -45.59 62.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.619 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 174' ' ' THR . . . . . 0.558 ' N ' ' CG2' ' A' ' 173' ' ' VAL . 25.1 m -64.61 -24.88 67.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.589 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 175' ' ' ILE . . . . . 0.524 HG22 ' O ' ' A' ' 172' ' ' THR . 1.7 tt -85.8 -7.49 10.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.535 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 176' ' ' PHE . . . . . 0.478 ' O ' HG12 ' A' ' 180' ' ' VAL . 64.4 t80 -94.64 -60.16 1.77 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.544 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 3.2 m -62.09 -16.76 16.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.5 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 178' ' ' ALA . . . . . 0.626 ' O ' ' OG1' ' A' ' 182' ' ' THR . . . -95.47 -45.9 6.9 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.605 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -62.33 -26.24 67.69 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 180' ' ' VAL . . . . . 0.696 HG13 ' N ' ' A' ' 181' ' ' LEU . 13.6 p -86.17 -51.67 12.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.761 0.315 . . . . 0.0 110.573 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 181' ' ' LEU . . . . . 0.696 ' N ' HG13 ' A' ' 180' ' ' VAL . 40.6 tp -69.3 -48.01 62.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.585 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 182' ' ' THR . . . . . 0.626 ' OG1' ' O ' ' A' ' 178' ' ' ALA . 25.3 m -50.5 -51.4 47.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.515 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -47.33 -45.76 24.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.548 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 184' ' ' SER . . . . . . . . . . . . . 28.3 t -54.46 -37.89 65.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.506 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 60.4 mt -77.64 -21.76 51.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.542 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 21.8 m -73.22 -44.86 58.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.563 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 187' ' ' ILE . . . . . 0.638 HG23 ' N ' ' A' ' 188' ' ' TRP . 12.7 tt -73.67 -51.63 24.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.546 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 188' ' ' TRP . . . . . 0.638 ' N ' HG23 ' A' ' 187' ' ' ILE . 0.2 OUTLIER -30.75 -56.87 0.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.608 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 7.8 mmtt -175.81 128.24 0.24 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.57 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 190' ' ' LYS . . . . . . . . . . . . . 35.2 pttt -109.83 89.56 3.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.551 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 191' ' ' MET . . . . . . . . . . . . . 84.6 mtp -128.64 136.59 50.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.557 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.739 0 CA-C-O 118.013 -1.437 . . . . 0.0 110.918 -179.982 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.936 ' O ' HD12 ' A' ' 19' ' ' ILE . 1.5 p . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.777 0.322 . . . . 0.0 110.522 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.518 ' H ' ' HB2' ' A' ' 15' ' ' SER . 21.2 m -102.11 -13.46 17.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.656 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -80.6 -49.46 11.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.655 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -66.48 -22.78 66.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.653 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.936 HD12 ' O ' ' A' ' 15' ' ' SER . 27.4 mt -82.06 -54.92 8.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.564 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 88.9 mtp -53.6 -36.22 61.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.542 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 23.0 mmtp -67.6 -46.02 73.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.529 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.465 HG22 ' O ' ' A' ' 22' ' ' THR . 52.3 m -72.51 -7.65 51.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.506 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -79.8 -53.82 4.14 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.904 -0.879 . . . . 0.0 110.904 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.537 ' HB1' ' NE2' ' A' ' 28' ' ' GLN . . . -78.38 -9.36 59.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.793 0.33 . . . . 0.0 110.477 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.551 ' O ' ' C ' ' A' ' 26' ' ' LEU . 34.7 tp -86.59 -81.04 0.23 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.521 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.551 ' C ' ' O ' ' A' ' 25' ' ' LEU . 45.0 tp -26.73 -65.83 0.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.513 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.531 ' O ' HG12 ' A' ' 31' ' ' ILE . 51.5 mt -51.1 -58.07 7.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.53 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.576 ' NE2' HD23 ' A' ' 47' ' ' LEU . 40.2 mt-30 -47.36 -17.96 0.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.537 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.542 ' O ' ' N ' ' A' ' 31' ' ' ILE . . . -88.68 -72.76 1.28 Allowed Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 38.8 t80 -42.27 -18.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.812 0.339 . . . . 0.0 110.576 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.542 ' N ' ' O ' ' A' ' 29' ' ' GLY . 30.3 mm -77.13 -69.21 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.582 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.602 ' HG2' ' O ' ' A' ' 32' ' ' GLN . 50.2 tt0 -78.83 30.07 0.2 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.59 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.413 ' H ' ' C ' ' A' ' 31' ' ' ILE . 49.9 t0 -113.1 -50.75 2.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.574 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 15.4 ptm180 -91.6 -27.12 18.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.553 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.473 ' CB ' HD22 ' A' ' 122' ' ' LEU . . . -98.53 -14.38 20.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.595 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.695 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 179.996 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.445 ' HB3' ' NE2' ' A' ' 32' ' ' GLN . 51.8 Cg_exo . . . . . 0 N--CA 1.491 1.356 0 CA-C-O 120.816 0.257 . . . . 0.0 112.091 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 51.5 mp0 -94.19 -9.13 37.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.506 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.48 HD21 ' O ' ' A' ' 28' ' ' GLN . 23.3 tp -105.36 67.71 0.78 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.518 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.805 ' O ' ' CB ' ' A' ' 47' ' ' LEU . . . -77.08 138.23 39.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.535 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.805 ' CB ' ' O ' ' A' ' 46' ' ' ALA . 64.9 tp . . . . . 0 CA--C 1.587 2.401 1 CA-C-O 106.478 -6.487 . . . . 0.0 101.611 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 54.1 t0 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.813 0.339 . . . . 0.0 110.568 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -88.54 -1.68 58.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.61 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 12.0 t -59.15 -39.37 82.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.539 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 10.5 m -82.04 -33.61 29.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.563 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -50.31 -54.74 19.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.661 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -59.83 -48.11 83.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.536 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.63 HD23 ' O ' ' A' ' 59' ' ' LEU . 0.8 OUTLIER -61.65 -26.2 67.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.536 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.5 t -71.54 -35.23 70.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.544 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -64.01 -31.71 73.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.551 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 94.4 m -64.23 -37.8 88.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.605 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.429 ' N ' HD12 ' A' ' 63' ' ' LEU . 10.8 mp -75.36 -24.67 57.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.53 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -84.29 -36.72 22.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.557 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.435 ' O ' ' OE2' ' A' ' 69' ' ' GLU . 99.6 mtt180 -68.46 -44.47 74.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.575 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 19.4 tt -76.48 -35.02 25.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.574 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.425 ' O ' ' CB ' ' A' ' 71' ' ' ASP . . . -61.04 -45.38 96.7 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.437 ' O ' ' OD1' ' A' ' 68' ' ' ASP . 68.5 t0 -62.75 -34.37 77.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.852 0.358 . . . . 0.0 110.569 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.547 ' N ' ' OE1' ' A' ' 69' ' ' GLU . 0.3 OUTLIER -79.55 -58.49 3.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.609 179.949 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 2.1 mt -55.22 -43.07 74.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.538 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.425 ' CB ' ' O ' ' A' ' 67' ' ' GLY . 51.4 t0 -65.01 -8.76 17.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.623 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.6 t -96.4 7.08 47.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.61 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -92.99 111.55 23.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.531 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 77.8 mtm -68.41 -11.12 59.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.56 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 -80.43 -67.36 0.78 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.552 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 52.5 tp -59.66 -40.42 87.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.618 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.851 HE22 ' HZ2' ' A' ' 119' ' ' LYS . 67.6 tp60 -61.72 -37.95 86.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.536 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 77.8 ttt180 -68.49 -44.96 73.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.552 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.442 ' SD ' HG23 ' A' ' 182' ' ' THR . 66.0 mtp -54.51 -43.83 72.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.629 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.641 ' O ' HG12 ' A' ' 83' ' ' VAL . 87.9 mt -62.47 -23.64 32.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.59 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -85.98 -18.78 31.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.595 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -86.43 -15.34 40.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.57 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.878 HG13 ' O ' ' A' ' 83' ' ' VAL . 8.2 p -89.47 82.61 2.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.585 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.429 ' O ' ' O ' ' A' ' 83' ' ' VAL . 55.3 p-10 -40.3 162.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.567 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 64.3 p -119.61 119.42 33.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.616 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 -148.4 -0.18 0.57 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.489 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.686 ' O ' HG12 ' A' ' 91' ' ' VAL . 44.0 t -176.04 88.7 0.28 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.504 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.487 ' O ' ' CB ' ' A' ' 92' ' ' PHE . 37.4 Cg_endo -69.37 -14.56 37.54 Favored 'Trans proline' 0 C--N 1.306 -1.692 0 C-N-CA 122.829 2.352 . . . . 0.0 112.068 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 34.2 ptt-85 -86.42 -35.06 19.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.55 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -78.92 -57.9 3.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.528 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.686 HG12 ' O ' ' A' ' 87' ' ' SER . 10.3 p -56.71 -51.63 64.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.532 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.665 ' N ' HG13 ' A' ' 91' ' ' VAL . 71.8 t80 -46.02 -52.12 12.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.473 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 91.3 t80 -68.29 -29.95 68.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.432 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 15.3 tpp180 -71.98 -57.18 4.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.495 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.613 HG23 ' N ' ' A' ' 96' ' ' ALA . 28.1 m -60.16 -47.8 90.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.45 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.613 ' N ' HG23 ' A' ' 95' ' ' VAL . . . -55.34 -27.71 48.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.469 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -81.71 -38.86 25.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.522 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.407 ' O ' ' C ' ' A' ' 99' ' ' MET . 99.4 m-20 -63.25 -38.58 91.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.612 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . 0.543 ' HB2' HH21 ' A' ' 109' ' ' ARG . 64.8 mtt -38.44 -68.72 0.15 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.559 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.6 ' CD2' ' O ' ' A' ' 100' ' ' PHE . 17.2 p90 -111.39 57.42 0.63 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.544 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.2 t -74.59 -26.84 60.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.579 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . 0.531 ' O ' ' C ' ' A' ' 103' ' ' GLY . 55.6 p-10 -155.64 -18.29 0.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.542 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.531 ' C ' ' O ' ' A' ' 102' ' ' ASP . . . -26.45 -80.61 0.01 OUTLIER Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.916 -0.873 . . . . 0.0 110.916 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . 0.606 ' O ' ' CG ' ' A' ' 105' ' ' PHE . 8.3 m-20 174.47 34.35 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.764 0.316 . . . . 0.0 110.587 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.606 ' CG ' ' O ' ' A' ' 104' ' ' ASN . 29.5 p90 42.58 29.12 0.14 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.597 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.52 ' CG ' ' H ' ' A' ' 107' ' ' TRP . 28.5 p30 -52.1 -110.54 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.499 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' TRP . . . . . 0.541 ' HE1' HD12 ' A' ' 148' ' ' LEU . 6.5 t90 174.66 -26.13 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.587 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . 0.588 ' O ' HG12 ' A' ' 111' ' ' VAL . . . -50.12 -42.12 39.59 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.934 -0.867 . . . . 0.0 110.934 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . 0.543 HH21 ' HB2' ' A' ' 99' ' ' MET . 0.0 OUTLIER -48.14 -26.1 1.74 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.775 0.322 . . . . 0.0 110.522 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.539 HG21 ' NE1' ' A' ' 107' ' ' TRP . 36.2 t -52.52 -57.86 3.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.582 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.588 HG12 ' O ' ' A' ' 108' ' ' GLY . 4.7 p -45.35 -46.71 3.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.503 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.579 ' N ' HG13 ' A' ' 111' ' ' VAL . . . -58.08 -35.25 71.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.471 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.674 ' O ' HD23 ' A' ' 113' ' ' LEU . 2.1 tt -56.73 -46.83 81.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.581 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . 0.412 ' CZ ' ' CG1' ' A' ' 110' ' ' VAL . 10.8 m-85 -57.12 -44.09 82.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.607 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 93.1 t80 -67.98 -43.71 78.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.564 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.443 ' CE2' HG21 ' A' ' 95' ' ' VAL . 92.2 t80 -58.94 -42.01 88.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.536 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.474 ' O ' HG23 ' A' ' 121' ' ' VAL . . . -70.74 -32.72 69.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.581 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 4.7 t -48.42 -44.53 35.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.625 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.851 ' HZ2' HE22 ' A' ' 77' ' ' GLN . 58.2 mmtt -59.6 -43.67 93.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.569 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 52.9 mt -67.94 -31.63 71.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.526 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.743 HG13 HG23 ' A' ' 133' ' ' ILE . 60.9 t -76.92 -53.49 14.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.554 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.473 HD22 ' CB ' ' A' ' 35' ' ' ALA . 70.9 mt -72.91 -40.95 65.06 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.552 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.822 ' CB ' ' O ' ' A' ' 119' ' ' LYS . 88.7 tttt -58.03 -41.23 82.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.526 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.526 ' O ' ' OG1' ' A' ' 127' ' ' THR . . . -75.55 -22.18 57.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.578 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 50.5 tp -62.82 -32.29 73.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.629 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' CYS . . . . . 0.446 ' SG ' ' N ' ' A' ' 127' ' ' THR . 16.8 p -82.97 -36.0 25.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.582 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.748 ' O ' ' HB2' ' A' ' 128' ' ' LYS . 35.4 p -53.3 -19.12 2.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.557 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . 0.748 ' HB2' ' O ' ' A' ' 127' ' ' THR . 62.1 mttm 87.84 44.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.487 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . 0.492 ' CG2' ' OG1' ' A' ' 127' ' ' THR . 0.4 OUTLIER -147.73 89.92 5.26 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.609 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' PRO . . . . . 0.401 ' HA ' HG12 ' A' ' 133' ' ' ILE . 43.3 Cg_endo -71.58 -14.95 30.67 Favored 'Trans proline' 0 C--N 1.304 -1.775 0 C-N-CA 122.82 2.347 . . . . 0.0 112.067 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -64.6 -39.97 94.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.499 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 2.3 tp -62.24 -32.62 73.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.53 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.743 HG23 HG13 ' A' ' 121' ' ' VAL . 21.8 mm -58.72 -49.39 82.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.523 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 43.2 ttm180 -69.47 -34.67 74.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.439 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 24.2 m -67.28 -31.67 72.14 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.558 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . 0.421 HG21 ' CG2' ' A' ' 121' ' ' VAL . 46.3 mt -70.03 -58.72 4.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.495 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 6.1 mtp -46.57 -25.4 0.69 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.526 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -68.76 -40.44 85.23 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.835 -0.906 . . . . 0.0 110.835 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -66.36 -24.47 66.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.801 0.334 . . . . 0.0 110.568 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 140' ' ' THR . . . . . 0.503 ' OG1' ' N ' ' A' ' 141' ' ' LEU . 15.4 p -75.46 -65.96 0.83 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.535 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . 0.503 ' N ' ' OG1' ' A' ' 140' ' ' THR . 54.9 mt -51.71 -33.62 35.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.562 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -65.69 -51.08 62.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.6 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . 0.443 ' O ' ' HB2' ' A' ' 147' ' ' ARG . 5.9 t80 -66.81 -38.89 87.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.57 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.505 ' HA ' HD23 ' A' ' 148' ' ' LEU . 0.4 OUTLIER -71.04 -35.48 71.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.557 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 57.7 ttp180 -83.05 -10.72 58.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.54 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -112.04 -4.5 14.46 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.533 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . 1.152 ' O ' ' N ' ' A' ' 149' ' ' LEU . 10.6 mtp180 -142.25 -110.93 0.13 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.533 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . 0.844 ' H ' HD22 ' A' ' 148' ' ' LEU . 1.0 OUTLIER -15.42 -27.74 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.524 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . 1.152 ' N ' ' O ' ' A' ' 147' ' ' ARG . 56.2 tp -49.11 -56.28 9.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.565 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -63.97 -50.64 59.44 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 151' ' ' TRP . . . . . . . . . . . . . 30.6 m95 -66.16 -55.78 14.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.879 0.371 . . . . 0.0 110.689 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 152' ' ' ILE . . . . . 0.699 ' N ' ' O ' ' A' ' 148' ' ' LEU . 9.4 tt -51.34 -34.37 14.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.579 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . 0.666 ' NE2' HD11 ' A' ' 149' ' ' LEU . 52.4 mt-30 -67.44 -31.29 71.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.619 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -88.96 -4.59 58.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.623 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -97.5 0.74 48.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.541 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 83.72 24.59 49.25 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 89.85 -160.31 28.61 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 158' ' ' TRP . . . . . 0.465 ' HE1' HG23 ' A' ' 19' ' ' ILE . 55.7 m95 -74.02 -5.56 42.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.761 0.315 . . . . 0.0 110.548 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -60.85 -42.52 97.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.554 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -54.35 -32.19 51.55 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.951 -0.859 . . . . 0.0 110.951 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . 0.58 HD23 ' O ' ' A' ' 161' ' ' LEU . 1.9 tt -62.98 -54.17 42.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.814 0.34 . . . . 0.0 110.496 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 55.2 tp -66.84 -31.24 71.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.539 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 5.1 t -66.6 -26.6 67.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.554 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 93.1 t80 -76.17 -42.86 45.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.564 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -71.61 47.91 0.14 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.569 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -130.8 38.94 1.86 Allowed Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 167' ' ' THR . . . . . 1.088 ' OG1' ' HD2' ' A' ' 168' ' ' PRO . 0.6 OUTLIER -108.5 -179.0 0.62 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 120.913 0.387 . . . . 0.0 110.544 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 168' ' ' PRO . . . . . 1.088 ' HD2' ' OG1' ' A' ' 167' ' ' THR . 56.3 Cg_endo -74.61 -146.75 0.03 OUTLIER 'Trans proline' 0 C--N 1.305 -1.761 0 C-N-CA 122.86 2.374 . . . . 0.0 112.136 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 169' ' ' THR . . . . . 0.599 ' C ' ' O ' ' A' ' 168' ' ' PRO . 9.4 p -21.6 100.41 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.627 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 170' ' ' TRP . . . . . 0.688 ' O ' HG22 ' A' ' 173' ' ' VAL . 28.0 p90 -64.43 -18.59 64.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.534 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 171' ' ' GLN . . . . . 0.481 ' NE2' ' OG1' ' A' ' 172' ' ' THR . 5.1 pp0? -47.29 -13.96 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.557 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 172' ' ' THR . . . . . 0.528 ' O ' HG22 ' A' ' 175' ' ' ILE . 5.2 m -87.13 -29.47 21.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.52 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 173' ' ' VAL . . . . . 0.688 HG22 ' O ' ' A' ' 170' ' ' TRP . 2.1 m -72.09 -45.64 62.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.504 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 174' ' ' THR . . . . . 0.562 ' N ' ' CG2' ' A' ' 173' ' ' VAL . 25.2 m -64.56 -24.95 67.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.521 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 175' ' ' ILE . . . . . 0.528 HG22 ' O ' ' A' ' 172' ' ' THR . 1.8 tt -85.76 -7.53 10.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.57 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 176' ' ' PHE . . . . . 0.482 ' O ' HG12 ' A' ' 180' ' ' VAL . 63.6 t80 -94.56 -60.13 1.78 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.567 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 3.2 m -62.1 -16.72 16.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.573 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 178' ' ' ALA . . . . . 0.61 ' O ' ' OG1' ' A' ' 182' ' ' THR . . . -95.48 -45.98 6.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.527 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -62.29 -26.2 67.56 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 180' ' ' VAL . . . . . 0.697 HG13 ' N ' ' A' ' 181' ' ' LEU . 13.6 p -86.13 -51.8 12.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.885 0.374 . . . . 0.0 110.591 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 181' ' ' LEU . . . . . 0.697 ' N ' HG13 ' A' ' 180' ' ' VAL . 38.6 tp -69.32 -47.93 63.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.545 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 182' ' ' THR . . . . . 0.61 ' OG1' ' O ' ' A' ' 178' ' ' ALA . 27.7 m -50.55 -51.35 48.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.514 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -47.43 -45.69 25.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.533 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 184' ' ' SER . . . . . . . . . . . . . 28.7 t -54.47 -37.83 65.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.603 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 65.8 mt -77.62 -21.78 51.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.524 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 21.5 m -73.28 -44.77 58.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.597 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 187' ' ' ILE . . . . . 0.641 HG23 ' N ' ' A' ' 188' ' ' TRP . 12.7 tt -73.78 -51.56 24.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.573 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 188' ' ' TRP . . . . . 0.641 ' N ' HG23 ' A' ' 187' ' ' ILE . 0.1 OUTLIER -30.82 -56.89 0.22 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.575 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 8.0 mmtt -175.74 128.26 0.24 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.542 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 190' ' ' LYS . . . . . . . . . . . . . 14.4 ptmt -109.87 89.58 3.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.611 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 191' ' ' MET . . . . . . . . . . . . . 84.4 mtp -128.67 136.51 50.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.614 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.775 0 CA-C-O 118.044 -1.42 . . . . 0.0 110.895 -179.975 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.852 ' O ' HD12 ' A' ' 19' ' ' ILE . 22.5 p . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.884 0.373 . . . . 0.0 110.424 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 62.5 m -94.5 -15.72 23.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.724 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -91.67 -51.74 5.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.565 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -55.62 -32.97 63.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.772 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.852 HD12 ' O ' ' A' ' 15' ' ' SER . 65.5 mt -75.11 -51.45 21.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.742 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 13.0 ttt -56.94 -36.09 69.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.809 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -68.05 -44.12 77.12 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.71 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 41.3 p -72.59 -13.67 61.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.662 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -74.51 -54.29 6.15 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.439 ' O ' ' HB2' ' A' ' 28' ' ' GLN . . . -77.45 -10.32 59.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.853 0.359 . . . . 0.0 110.646 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.53 ' O ' ' C ' ' A' ' 26' ' ' LEU . 33.6 tp -86.53 -78.43 0.29 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.608 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.53 ' C ' ' O ' ' A' ' 25' ' ' LEU . 56.4 tp -29.14 -64.55 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.614 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.452 ' O ' HG12 ' A' ' 31' ' ' ILE . 60.0 tp -52.46 -56.32 15.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.546 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.618 ' CG ' HD21 ' A' ' 45' ' ' LEU . 51.5 tt0 -48.77 -17.97 0.23 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.598 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.528 ' O ' ' N ' ' A' ' 31' ' ' ILE . . . -88.76 -72.13 1.27 Allowed Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -42.53 -18.98 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.837 0.351 . . . . 0.0 110.56 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.754 HD12 HG11 ' A' ' 121' ' ' VAL . 4.0 mm -77.01 -68.84 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.593 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.613 ' HB2' HD22 ' A' ' 45' ' ' LEU . 31.3 tt0 -79.16 29.78 0.22 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.604 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.41 ' H ' ' C ' ' A' ' 31' ' ' ILE . 68.3 t0 -112.76 -51.03 2.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.503 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 -91.24 -26.96 18.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.532 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.468 ' CB ' HD22 ' A' ' 122' ' ' LEU . . . -98.64 -13.24 20.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.576 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.629 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 -179.958 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo . . . . . 0 N--CA 1.49 1.317 0 CA-C-O 120.779 0.241 . . . . 0.0 112.17 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -72.83 -19.07 61.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.534 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.845 HD23 ' O ' ' A' ' 45' ' ' LEU . 3.1 tt -92.34 73.01 5.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.538 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.406 ' O ' ' HG ' ' A' ' 47' ' ' LEU . . . -90.31 131.6 36.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.566 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.516 ' CB ' ' NE2' ' A' ' 28' ' ' GLN . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.584 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.423 ' OD1' ' N ' ' A' ' 53' ' ' ASP . 29.5 p-10 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.762 0.315 . . . . 0.0 110.628 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -84.19 -1.44 55.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.58 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 58.5 m -61.22 -39.83 91.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.558 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.511 HG21 HD21 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -82.39 -33.78 28.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.608 179.923 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 31.7 ttpt -50.0 -54.74 18.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.6 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 30.2 ttpt -59.92 -47.94 83.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.583 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.627 HD23 ' O ' ' A' ' 59' ' ' LEU . 0.8 OUTLIER -61.83 -26.12 67.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.551 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.8 t -71.51 -35.27 70.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.569 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -64.08 -31.53 72.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.55 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.431 ' O ' HG22 ' A' ' 66' ' ' ILE . 92.1 m -64.45 -37.74 88.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.519 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.481 HD12 ' N ' ' A' ' 63' ' ' LEU . 9.0 mp -75.41 -24.6 57.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.591 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.0 ttpm? -84.26 -36.64 22.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.58 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.438 ' O ' ' OE2' ' A' ' 69' ' ' GLU . 95.0 mtt180 -68.61 -44.44 74.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.535 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.431 HG22 ' O ' ' A' ' 62' ' ' CYS . 20.6 tt -76.44 -35.11 25.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.547 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.425 ' O ' ' CB ' ' A' ' 71' ' ' ASP . . . -60.95 -45.45 96.56 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.425 ' O ' ' OD1' ' A' ' 68' ' ' ASP . 68.3 t0 -62.7 -34.29 76.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.753 0.311 . . . . 0.0 110.599 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.541 ' N ' ' OE1' ' A' ' 69' ' ' GLU . 0.3 OUTLIER -79.71 -58.36 3.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.578 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.26 -43.02 74.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.547 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.432 ' O ' ' OD1' ' A' ' 71' ' ' ASP . 53.2 t0 -65.13 -8.69 17.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.553 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.5 t -96.37 7.0 47.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.592 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -92.96 111.43 23.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.608 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 89.5 mtp -68.23 -11.18 58.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.528 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -80.51 -67.23 0.79 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.513 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 7.7 tp -59.93 -40.12 87.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.574 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 10.7 tm0? -61.91 -37.9 86.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.571 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 75.5 ttt180 -68.49 -44.93 73.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.536 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.485 ' SD ' HG23 ' A' ' 182' ' ' THR . 73.9 mtp -54.54 -43.87 72.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.577 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.637 ' O ' HG12 ' A' ' 83' ' ' VAL . 85.5 mt -62.46 -23.53 32.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.6 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -86.27 -18.6 31.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.555 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -86.69 -14.88 41.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.544 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.872 HG13 ' O ' ' A' ' 83' ' ' VAL . 8.1 p -89.96 82.06 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.551 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.444 ' O ' ' O ' ' A' ' 83' ' ' VAL . 43.6 p30 -39.9 162.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.557 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 97.8 m -119.49 119.07 32.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.656 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -147.6 -0.28 0.65 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.475 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.714 ' O ' HG12 ' A' ' 91' ' ' VAL . 47.4 t -176.12 90.47 0.27 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.491 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.477 ' O ' ' CB ' ' A' ' 92' ' ' PHE . 42.8 Cg_endo -71.03 -13.98 31.81 Favored 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 122.847 2.365 . . . . 0.0 112.127 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 16.1 ptt-85 -87.82 -32.32 19.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.546 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -81.5 -56.55 3.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.504 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.714 HG12 ' O ' ' A' ' 87' ' ' SER . 9.3 p -58.54 -50.43 78.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.529 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.643 ' N ' HG13 ' A' ' 91' ' ' VAL . 85.8 t80 -46.97 -51.28 17.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.478 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -68.62 -30.2 68.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.51 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 15.5 tpp180 -71.87 -57.65 4.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.555 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.621 HG23 ' N ' ' A' ' 96' ' ' ALA . 28.3 m -59.56 -47.84 89.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.528 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.621 ' N ' HG23 ' A' ' 95' ' ' VAL . . . -55.45 -27.69 49.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.462 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -81.76 -38.89 24.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.508 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.407 ' O ' ' C ' ' A' ' 99' ' ' MET . 99.8 m-20 -63.3 -38.56 91.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.578 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . 0.407 ' C ' ' O ' ' A' ' 98' ' ' ASP . 63.8 mtt -38.43 -68.78 0.14 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.546 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.608 ' CD2' ' O ' ' A' ' 100' ' ' PHE . 16.3 p90 -111.38 57.46 0.63 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.57 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.2 t -74.59 -26.82 60.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.607 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . 0.532 ' O ' ' C ' ' A' ' 103' ' ' GLY . 55.6 p-10 -155.65 -18.18 0.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.539 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.532 ' C ' ' O ' ' A' ' 102' ' ' ASP . . . -26.45 -80.61 0.01 OUTLIER Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . 0.606 ' O ' ' CG ' ' A' ' 105' ' ' PHE . 25.9 t-20 174.44 34.49 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.782 0.325 . . . . 0.0 110.612 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.606 ' CG ' ' O ' ' A' ' 104' ' ' ASN . 31.2 p90 42.58 29.01 0.14 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.555 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.519 ' CG ' ' H ' ' A' ' 107' ' ' TRP . 29.0 p30 -52.14 -110.5 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.618 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' TRP . . . . . 0.547 ' NE1' HG21 ' A' ' 110' ' ' VAL . 6.7 t90 174.71 -26.21 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.608 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . 0.601 ' O ' HG12 ' A' ' 111' ' ' VAL . . . -49.98 -42.13 38.34 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.959 -0.857 . . . . 0.0 110.959 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 5.7 ppt_? -48.13 -26.15 1.76 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.787 0.327 . . . . 0.0 110.616 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.547 HG21 ' NE1' ' A' ' 107' ' ' TRP . 33.1 t -52.44 -57.98 3.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.491 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.601 HG12 ' O ' ' A' ' 108' ' ' GLY . 4.9 p -45.32 -46.66 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.444 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.581 ' N ' HG13 ' A' ' 111' ' ' VAL . . . -58.06 -35.36 71.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.506 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.641 ' O ' HD23 ' A' ' 113' ' ' LEU . 1.8 tt -56.59 -46.9 80.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.63 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . 0.451 ' CZ ' ' CG1' ' A' ' 110' ' ' VAL . 9.8 m-85 -56.98 -44.23 82.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.523 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 92.6 t80 -67.86 -43.82 78.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.591 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.458 ' CE2' HG21 ' A' ' 95' ' ' VAL . 93.2 t80 -58.96 -41.9 88.58 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.514 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -70.78 -32.72 69.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.544 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 4.9 t -48.44 -44.68 35.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.565 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.82 ' O ' ' CB ' ' A' ' 123' ' ' LYS . 55.0 mmtt -59.36 -43.61 92.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.659 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 53.1 mt -68.13 -31.5 71.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.605 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.759 HG13 HG23 ' A' ' 133' ' ' ILE . 75.5 t -76.97 -53.28 15.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.542 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.468 HD22 ' CB ' ' A' ' 35' ' ' ALA . 68.6 mt -73.18 -40.57 64.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.564 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.82 ' CB ' ' O ' ' A' ' 119' ' ' LYS . 88.7 tttt -58.41 -40.91 83.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.53 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.523 ' O ' ' OG1' ' A' ' 127' ' ' THR . . . -76.09 -21.26 56.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.562 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 6.9 tp -63.62 -31.26 72.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.607 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' CYS . . . . . 0.455 ' SG ' ' N ' ' A' ' 127' ' ' THR . 13.8 p -84.84 -34.54 22.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.601 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.784 ' O ' ' HB2' ' A' ' 128' ' ' LYS . 26.3 p -53.96 -18.32 3.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.565 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . 0.784 ' HB2' ' O ' ' A' ' 127' ' ' THR . 26.9 mmtp 88.07 42.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.573 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . 0.47 HG22 ' OG1' ' A' ' 127' ' ' THR . 1.7 m -146.96 92.99 4.85 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.626 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -74.91 -13.33 21.66 Favored 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 122.845 2.364 . . . . 0.0 112.074 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . 0.776 ' O ' HG23 ' A' ' 135' ' ' THR . 78.8 tt0 -66.22 -38.83 88.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.564 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.52 ' HA ' ' OG1' ' A' ' 135' ' ' THR . 2.4 tp -63.06 -31.87 73.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.529 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.759 HG23 HG13 ' A' ' 121' ' ' VAL . 8.0 mm -59.28 -49.09 84.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.482 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 88.7 mtm180 -69.55 -34.66 74.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.485 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . 0.776 HG23 ' O ' ' A' ' 131' ' ' GLU . 61.7 p -67.31 -32.04 72.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.486 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . 0.431 HG21 ' CG2' ' A' ' 121' ' ' VAL . 47.2 mt -69.72 -58.6 5.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.561 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 55.2 mtt -46.71 -25.44 0.73 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.442 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -68.71 -40.58 85.4 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 139' ' ' TRP . . . . . 0.566 ' CD1' ' N ' ' A' ' 139' ' ' TRP . 7.5 m0 -66.23 -24.44 66.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.778 0.323 . . . . 0.0 110.554 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 140' ' ' THR . . . . . 0.475 ' OG1' ' N ' ' A' ' 141' ' ' LEU . 21.1 p -75.58 -65.89 0.84 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.535 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . 0.475 ' N ' ' OG1' ' A' ' 140' ' ' THR . 52.8 mt -51.86 -33.44 36.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.578 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -65.83 -51.05 62.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.533 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . 0.452 ' O ' ' HB2' ' A' ' 147' ' ' ARG . 6.4 t80 -66.83 -38.83 87.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.565 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.582 HD12 ' HB2' ' A' ' 148' ' ' LEU . 2.0 tp -71.15 -35.55 71.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.476 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 57.9 ttp180 -83.01 -10.62 58.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.574 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -112.04 -4.62 14.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.582 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . 1.152 ' O ' ' N ' ' A' ' 149' ' ' LEU . 19.5 mtp180 -142.23 -110.88 0.13 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.546 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . 0.834 ' H ' HD22 ' A' ' 148' ' ' LEU . 1.0 OUTLIER -15.29 -27.83 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.595 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . 1.152 ' N ' ' O ' ' A' ' 147' ' ' ARG . 59.3 tp -49.09 -56.31 9.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.54 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -63.87 -50.65 59.59 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 151' ' ' TRP . . . . . . . . . . . . . 99.4 m95 -66.26 -55.81 14.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.791 0.329 . . . . 0.0 110.541 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 152' ' ' ILE . . . . . 0.697 ' N ' ' O ' ' A' ' 148' ' ' LEU . 10.3 tt -51.31 -34.41 14.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.561 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . 0.565 ' NE2' HD11 ' A' ' 149' ' ' LEU . 50.9 mt-30 -67.41 -31.42 71.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.528 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -88.83 -4.62 58.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.639 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -97.49 0.89 48.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.54 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 83.6 24.76 49.16 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 89.7 -160.42 28.87 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.874 -0.891 . . . . 0.0 110.874 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 158' ' ' TRP . . . . . 0.437 ' CD1' HD11 ' A' ' 152' ' ' ILE . 37.7 m95 -73.86 -5.66 42.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.812 0.339 . . . . 0.0 110.57 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -60.83 -42.46 97.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.539 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -54.35 -32.37 51.76 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . 0.579 HD23 ' O ' ' A' ' 161' ' ' LEU . 2.0 tt -62.83 -54.15 43.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.708 0.29 . . . . 0.0 110.513 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 48.6 tp -66.85 -31.23 71.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.582 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 20.9 t -66.54 -26.83 67.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.554 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 94.5 t80 -75.79 -42.97 48.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.567 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -71.82 47.88 0.15 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.537 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -130.5 39.08 1.85 Allowed Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 167' ' ' THR . . . . . 1.177 ' OG1' ' HD2' ' A' ' 168' ' ' PRO . 0.6 OUTLIER -108.6 -176.45 0.4 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 120.978 0.418 . . . . 0.0 110.594 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 168' ' ' PRO . . . . . 1.177 ' HD2' ' OG1' ' A' ' 167' ' ' THR . 61.3 Cg_endo -77.67 -147.76 0.03 OUTLIER 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 122.896 2.398 . . . . 0.0 112.212 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 169' ' ' THR . . . . . 0.606 ' C ' ' O ' ' A' ' 168' ' ' PRO . 20.8 p -20.28 98.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.611 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 170' ' ' TRP . . . . . 0.683 ' O ' HG22 ' A' ' 173' ' ' VAL . 30.8 p90 -63.19 -18.48 63.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.58 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 171' ' ' GLN . . . . . 0.53 ' NE2' ' OG1' ' A' ' 172' ' ' THR . 5.5 pp0? -47.37 -13.83 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.556 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 172' ' ' THR . . . . . 0.53 ' OG1' ' NE2' ' A' ' 171' ' ' GLN . 5.5 m -87.34 -29.58 21.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.493 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 173' ' ' VAL . . . . . 0.683 HG22 ' O ' ' A' ' 170' ' ' TRP . 2.0 m -71.94 -45.68 63.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.604 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 174' ' ' THR . . . . . 0.566 ' N ' ' CG2' ' A' ' 173' ' ' VAL . 24.9 m -64.51 -25.04 67.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.526 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 175' ' ' ILE . . . . . 0.512 HG22 ' O ' ' A' ' 172' ' ' THR . 1.6 tt -85.68 -7.62 10.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.57 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 176' ' ' PHE . . . . . 0.482 ' O ' HG12 ' A' ' 180' ' ' VAL . 64.1 t80 -94.48 -60.17 1.78 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.617 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 3.0 m -62.02 -16.71 16.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.586 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 178' ' ' ALA . . . . . 0.621 ' O ' ' OG1' ' A' ' 182' ' ' THR . . . -95.51 -45.92 6.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.608 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -62.28 -26.18 67.52 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 180' ' ' VAL . . . . . 0.699 HG13 ' N ' ' A' ' 181' ' ' LEU . 13.7 p -86.26 -51.73 12.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.793 0.33 . . . . 0.0 110.553 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 181' ' ' LEU . . . . . 0.699 ' N ' HG13 ' A' ' 180' ' ' VAL . 41.3 tp -69.27 -48.01 62.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.553 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 182' ' ' THR . . . . . 0.621 ' OG1' ' O ' ' A' ' 178' ' ' ALA . 26.1 m -50.53 -51.26 49.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.597 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -47.47 -45.63 26.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.547 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 184' ' ' SER . . . . . . . . . . . . . 27.5 t -54.52 -37.77 65.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.616 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 61.6 mt -77.7 -21.68 51.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.569 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 21.0 m -73.27 -44.83 58.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.524 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 187' ' ' ILE . . . . . 0.637 HG23 ' N ' ' A' ' 188' ' ' TRP . 12.5 tt -73.68 -51.59 24.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.614 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 188' ' ' TRP . . . . . 0.637 ' N ' HG23 ' A' ' 187' ' ' ILE . 0.2 OUTLIER -30.75 -56.94 0.22 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.593 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 8.0 mmtt -175.75 128.29 0.24 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.581 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 190' ' ' LYS . . . . . . . . . . . . . 14.8 ptmt -109.91 89.53 3.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.564 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 191' ' ' MET . . . . . . . . . . . . . 83.7 mtp -128.62 136.57 50.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.609 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.711 0 CA-C-O 118.04 -1.422 . . . . 0.0 110.938 -179.934 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.86 ' O ' HD12 ' A' ' 19' ' ' ILE . 2.9 p . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.737 0.303 . . . . 0.0 110.61 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.47 ' H ' ' HB2' ' A' ' 15' ' ' SER . 49.3 m -99.88 -13.25 19.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.597 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -84.83 -47.94 9.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.47 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.516 ' CD ' ' O ' ' A' ' 18' ' ' GLN . 20.5 tm0? -66.46 -23.1 66.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.582 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.86 HD12 ' O ' ' A' ' 15' ' ' SER . 93.8 mt -82.02 -55.26 8.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.51 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.42 ' C ' ' SD ' ' A' ' 20' ' ' MET . 10.2 tmm? -52.82 -37.15 59.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.527 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 29.0 ttmt -66.77 -47.06 73.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.453 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.501 HG22 ' O ' ' A' ' 22' ' ' THR . 92.8 m -71.35 -7.99 50.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.566 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -79.54 -54.23 4.06 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.44 -8.96 59.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.804 0.335 . . . . 0.0 110.522 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.548 ' O ' ' C ' ' A' ' 26' ' ' LEU . 23.0 mt -86.88 -80.49 0.24 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.613 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.548 ' C ' ' O ' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -27.07 -65.71 0.07 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.642 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.421 ' C ' ' N ' ' A' ' 29' ' ' GLY . 6.2 tp -51.23 -57.8 7.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.598 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.529 ' NE2' ' C ' ' A' ' 28' ' ' GLN . 0.0 OUTLIER -47.48 -18.0 0.11 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.539 -179.947 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.541 ' O ' ' N ' ' A' ' 31' ' ' ILE . . . -88.7 -72.65 1.28 Allowed Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 42.0 t80 -42.15 -18.91 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.839 0.352 . . . . 0.0 110.623 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.541 ' N ' ' O ' ' A' ' 29' ' ' GLY . 73.8 mt -76.96 -69.2 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.575 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -78.99 30.14 0.21 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.589 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.413 ' H ' ' C ' ' A' ' 31' ' ' ILE . 66.4 t0 -113.06 -50.78 2.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.589 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 15.2 ptm180 -91.57 -26.74 18.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.599 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.47 ' CB ' HD22 ' A' ' 122' ' ' LEU . . . -99.01 -13.63 19.81 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.596 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.638 0 N-CA-C 110.986 -0.845 . . . . 0.0 110.986 179.95 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo . . . . . 0 N--CA 1.491 1.349 0 CA-C-O 120.734 0.222 . . . . 0.0 112.115 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 75.1 mt-10 -92.48 -11.86 33.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.565 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.49 ' HA ' HD22 ' A' ' 45' ' ' LEU . 0.3 OUTLIER -98.85 63.54 1.39 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.592 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.424 ' O ' ' HB2' ' A' ' 47' ' ' LEU . . . -70.94 141.09 51.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.529 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.424 ' HB2' ' O ' ' A' ' 46' ' ' ALA . 56.2 tp . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.544 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.798 0.332 . . . . 0.0 110.591 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -80.18 -1.03 38.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.542 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.604 ' O ' HD13 ' A' ' 59' ' ' LEU . 11.4 t -60.12 -39.84 87.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.592 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.8 p -81.97 -34.0 29.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.572 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 66.5 mmtt -50.17 -54.87 17.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.586 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -59.84 -47.77 84.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.629 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.604 HD13 ' O ' ' A' ' 55' ' ' SER . 3.8 mp -61.94 -26.28 68.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.491 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.4 t -71.37 -35.38 71.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.566 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -63.84 -31.72 73.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.545 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 95.3 m -64.35 -37.74 88.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.572 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.435 HD12 ' N ' ' A' ' 63' ' ' LEU . 11.2 mp -75.3 -24.76 57.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.53 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 25.1 ttpp -84.22 -36.68 22.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.59 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -68.46 -44.5 74.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.529 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 18.4 tt -76.43 -35.13 26.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.555 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.425 ' O ' ' CB ' ' A' ' 71' ' ' ASP . . . -61.06 -45.42 96.62 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.421 ' O ' ' OD1' ' A' ' 68' ' ' ASP . 68.0 t0 -62.78 -34.21 76.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.748 0.309 . . . . 0.0 110.592 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 41.8 tp10 -79.71 -58.49 3.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.597 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 2.1 mt -55.09 -43.13 73.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.559 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.436 ' O ' ' OD1' ' A' ' 71' ' ' ASP . 55.4 t0 -65.05 -8.78 17.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.593 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.9 t -96.33 7.07 47.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.572 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -92.9 111.48 23.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.597 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 6.9 ptt? -68.35 -11.24 59.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.543 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -80.32 -67.32 0.78 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.6 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 51.5 tp -59.82 -40.24 87.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.545 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 3.4 tm0? -61.82 -37.94 86.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.511 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 77.3 ttt180 -68.53 -44.89 73.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.5 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.481 ' SD ' HG23 ' A' ' 182' ' ' THR . 73.5 mtp -54.59 -43.84 72.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.566 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.641 ' O ' HG12 ' A' ' 83' ' ' VAL . 84.8 mt -62.44 -23.68 32.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.566 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -86.03 -18.71 31.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.577 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -86.55 -15.02 41.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.592 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.874 HG13 ' O ' ' A' ' 83' ' ' VAL . 8.0 p -89.86 82.55 2.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.603 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.41 ' O ' ' O ' ' A' ' 83' ' ' VAL . 54.8 p-10 -40.84 162.06 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.536 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 87.8 m -119.39 120.53 37.15 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.62 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 29.8 t0 -149.0 -0.49 0.51 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.495 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.681 ' O ' HG12 ' A' ' 91' ' ' VAL . 44.9 t -175.41 87.27 0.3 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.487 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.503 ' O ' ' CB ' ' A' ' 92' ' ' PHE . 34.8 Cg_endo -67.86 -15.8 44.59 Favored 'Trans proline' 0 C--N 1.304 -1.765 0 C-N-CA 122.765 2.31 . . . . 0.0 112.106 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 15.3 ptt-85 -85.84 -34.51 21.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.501 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -78.85 -57.74 3.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.595 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.681 HG12 ' O ' ' A' ' 87' ' ' SER . 9.2 p -57.32 -51.51 68.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.551 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.661 ' N ' HG13 ' A' ' 91' ' ' VAL . 74.4 t80 -45.84 -52.4 11.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.494 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 91.3 t80 -67.92 -30.0 69.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.581 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 16.2 tpp180 -71.8 -57.43 4.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.545 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.617 HG23 ' N ' ' A' ' 96' ' ' ALA . 26.6 m -59.93 -47.81 90.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.572 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.617 ' N ' HG23 ' A' ' 95' ' ' VAL . . . -55.2 -27.77 48.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.531 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -81.71 -38.86 25.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.544 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.407 ' O ' ' C ' ' A' ' 99' ' ' MET . 99.6 m-20 -63.3 -38.67 92.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.495 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . 0.407 ' C ' ' O ' ' A' ' 98' ' ' ASP . 65.1 mtt -38.39 -68.75 0.14 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.639 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.663 ' CG ' ' NH2' ' A' ' 109' ' ' ARG . 9.2 p90 -111.35 57.49 0.63 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.614 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.2 t -74.61 -26.88 60.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.596 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . 0.534 ' O ' ' C ' ' A' ' 103' ' ' GLY . 54.1 p-10 -155.58 -18.3 0.11 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.561 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.534 ' C ' ' O ' ' A' ' 102' ' ' ASP . . . -26.43 -80.71 0.01 OUTLIER Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . 0.608 ' O ' ' CG ' ' A' ' 105' ' ' PHE . 9.2 m-20 174.53 34.42 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.749 0.309 . . . . 0.0 110.572 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.608 ' CG ' ' O ' ' A' ' 104' ' ' ASN . 29.5 p90 42.67 29.1 0.15 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.571 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.538 ' OD1' ' NE ' ' A' ' 109' ' ' ARG . 5.1 p-10 -52.13 -110.47 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.582 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' TRP . . . . . 0.551 ' NE1' HG21 ' A' ' 110' ' ' VAL . 6.7 t90 174.54 -26.12 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.561 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . 0.585 ' O ' HG12 ' A' ' 111' ' ' VAL . . . -50.06 -42.22 39.22 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . 0.746 ' H ' ' CD ' ' A' ' 109' ' ' ARG . 0.0 OUTLIER -47.98 -26.24 1.69 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.831 0.348 . . . . 0.0 110.624 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.551 HG21 ' NE1' ' A' ' 107' ' ' TRP . 34.6 t -52.4 -57.96 3.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.52 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.585 HG12 ' O ' ' A' ' 108' ' ' GLY . 4.6 p -45.28 -46.82 3.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.529 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.58 ' N ' HG13 ' A' ' 111' ' ' VAL . . . -58.11 -34.84 70.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.509 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.68 ' O ' HD23 ' A' ' 113' ' ' LEU . 2.2 tt -56.99 -46.88 81.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.583 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -57.26 -43.96 83.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.557 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 92.3 t80 -67.94 -43.58 78.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.536 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.447 ' CE2' HG21 ' A' ' 95' ' ' VAL . 91.9 t80 -59.16 -41.78 89.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.529 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.509 ' O ' HG23 ' A' ' 121' ' ' VAL . . . -71.0 -32.51 69.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.499 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 5.7 t -48.68 -44.28 37.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.553 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.82 ' O ' ' CB ' ' A' ' 123' ' ' LYS . 55.9 mmtt -59.8 -43.73 94.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.542 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 53.8 mt -68.02 -31.34 70.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.521 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.706 HG13 HG23 ' A' ' 133' ' ' ILE . 53.8 t -77.11 -53.5 14.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.567 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.47 HD22 ' CB ' ' A' ' 35' ' ' ALA . 70.0 mt -72.87 -41.0 65.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.518 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.82 ' CB ' ' O ' ' A' ' 119' ' ' LYS . 62.6 tttm -58.04 -41.13 82.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.53 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.517 ' O ' ' OG1' ' A' ' 127' ' ' THR . . . -75.67 -21.83 57.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.551 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 6.2 tt -63.23 -32.18 73.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.554 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 85.0 m -83.2 -35.71 25.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.628 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.74 ' O ' ' HB2' ' A' ' 128' ' ' LYS . 36.7 p -53.66 -19.01 3.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.533 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . 0.74 ' HB2' ' O ' ' A' ' 127' ' ' THR . 64.2 mttm 87.15 45.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.532 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . 0.503 ' CG2' ' OG1' ' A' ' 127' ' ' THR . 0.2 OUTLIER -148.7 88.19 5.32 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.551 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' PRO . . . . . 0.406 ' HA ' HG12 ' A' ' 133' ' ' ILE . 39.7 Cg_endo -70.36 -13.14 32.85 Favored 'Trans proline' 0 C--N 1.307 -1.653 0 C-N-CA 122.769 2.312 . . . . 0.0 112.075 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -65.07 -41.28 95.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.536 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 8.4 mp -61.36 -34.5 75.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.41 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.706 HG23 HG13 ' A' ' 121' ' ' VAL . 21.4 mm -56.14 -50.53 70.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.466 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 41.5 mtm105 -68.95 -34.9 76.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.509 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 16.8 m -67.25 -31.84 72.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.496 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . 0.425 HG21 ' CG2' ' A' ' 121' ' ' VAL . 44.4 mt -69.78 -59.02 3.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.485 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 82.7 mtp -46.29 -25.43 0.63 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.537 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -68.81 -40.42 85.02 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -66.4 -24.37 66.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.871 0.367 . . . . 0.0 110.562 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 140' ' ' THR . . . . . 0.47 ' OG1' ' N ' ' A' ' 141' ' ' LEU . 22.4 p -75.57 -65.85 0.85 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.529 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . 0.47 ' N ' ' OG1' ' A' ' 140' ' ' THR . 54.2 mt -51.73 -33.69 35.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.525 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -65.73 -51.01 62.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.58 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . 0.435 ' O ' ' HB2' ' A' ' 147' ' ' ARG . 4.7 t80 -66.89 -38.82 86.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.551 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.572 HD12 ' HB2' ' A' ' 148' ' ' LEU . 1.8 tp -71.07 -35.52 71.91 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.568 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 58.8 ttp180 -82.97 -10.72 58.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.597 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -111.97 -4.62 14.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.536 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . 1.155 ' O ' ' N ' ' A' ' 149' ' ' LEU . 17.9 mtp180 -142.21 -110.84 0.13 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.604 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . 0.802 ' H ' HD22 ' A' ' 148' ' ' LEU . 1.0 OUTLIER -15.42 -27.7 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.558 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . 1.155 ' N ' ' O ' ' A' ' 147' ' ' ARG . 46.6 tp -49.06 -56.36 9.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.542 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -63.97 -50.57 59.88 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 151' ' ' TRP . . . . . . . . . . . . . 99.5 m95 -66.23 -55.84 14.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.804 0.335 . . . . 0.0 110.595 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 152' ' ' ILE . . . . . 0.698 ' N ' ' O ' ' A' ' 148' ' ' LEU . 10.1 tt -51.33 -34.32 14.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.564 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . 0.603 HE21 HD11 ' A' ' 19' ' ' ILE . 3.7 mm-40 -67.44 -31.39 71.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.535 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -88.91 -4.6 58.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.543 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -97.41 0.78 48.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.591 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 83.66 24.65 49.29 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 89.81 -160.42 28.73 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 158' ' ' TRP . . . . . 0.435 ' CD1' HD11 ' A' ' 152' ' ' ILE . 52.7 m95 -73.92 -5.57 41.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.768 0.318 . . . . 0.0 110.569 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 159' ' ' ASP . . . . . 0.403 ' C ' ' OD1' ' A' ' 159' ' ' ASP . 62.4 t0 -60.9 -42.48 98.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.579 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -54.43 -32.13 52.04 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . 0.592 HD23 ' O ' ' A' ' 161' ' ' LEU . 2.0 tt -62.92 -54.07 44.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.816 0.341 . . . . 0.0 110.514 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 43.8 tp -67.1 -31.05 71.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.539 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 21.3 t -66.77 -26.25 66.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.633 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 90.3 t80 -76.64 -42.67 41.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.556 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -71.66 48.13 0.15 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.539 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -131.11 39.17 1.82 Allowed Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 167' ' ' THR . . . . . 1.134 ' OG1' ' HD2' ' A' ' 168' ' ' PRO . 0.6 OUTLIER -108.73 -179.99 0.77 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 120.935 0.398 . . . . 0.0 110.523 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 168' ' ' PRO . . . . . 1.134 ' HD2' ' OG1' ' A' ' 167' ' ' THR . 50.9 Cg_endo -73.17 -146.26 0.02 OUTLIER 'Trans proline' 0 C--N 1.306 -1.677 0 C-N-CA 122.743 2.295 . . . . 0.0 112.068 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 169' ' ' THR . . . . . 0.595 ' C ' ' O ' ' A' ' 168' ' ' PRO . 4.1 p -22.57 101.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.522 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 170' ' ' TRP . . . . . 0.692 ' O ' HG22 ' A' ' 173' ' ' VAL . 28.3 p90 -65.08 -18.39 65.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.627 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 171' ' ' GLN . . . . . 0.532 ' NE2' ' OG1' ' A' ' 172' ' ' THR . 4.5 pp0? -47.43 -14.16 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.542 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 172' ' ' THR . . . . . 0.532 ' OG1' ' NE2' ' A' ' 171' ' ' GLN . 97.1 m -86.89 -29.49 22.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.53 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 173' ' ' VAL . . . . . 0.692 HG22 ' O ' ' A' ' 170' ' ' TRP . 2.0 m -72.14 -45.61 61.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.59 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 174' ' ' THR . . . . . 0.564 ' N ' ' CG2' ' A' ' 173' ' ' VAL . 24.9 m -64.55 -24.96 67.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.584 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 175' ' ' ILE . . . . . 0.528 HG22 ' O ' ' A' ' 172' ' ' THR . 1.8 tt -85.73 -7.55 10.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.574 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 176' ' ' PHE . . . . . 0.482 ' O ' HG12 ' A' ' 180' ' ' VAL . 62.3 t80 -94.59 -60.12 1.78 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.568 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 3.1 m -62.11 -16.62 16.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.623 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 178' ' ' ALA . . . . . 0.621 ' O ' ' OG1' ' A' ' 182' ' ' THR . . . -95.58 -46.02 6.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.487 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -62.24 -26.23 67.51 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 180' ' ' VAL . . . . . 0.7 HG13 ' N ' ' A' ' 181' ' ' LEU . 13.6 p -86.17 -51.83 12.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.826 0.346 . . . . 0.0 110.554 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 181' ' ' LEU . . . . . 0.7 ' N ' HG13 ' A' ' 180' ' ' VAL . 45.9 tp -69.24 -48.06 62.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.557 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 182' ' ' THR . . . . . 0.621 ' OG1' ' O ' ' A' ' 178' ' ' ALA . 25.7 m -50.39 -51.46 46.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.546 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -47.27 -45.77 24.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.581 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 184' ' ' SER . . . . . . . . . . . . . 29.4 t -54.37 -37.94 65.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.556 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 66.1 mt -77.63 -21.73 51.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.564 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 21.9 m -73.28 -44.81 58.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.538 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 187' ' ' ILE . . . . . 0.636 HG23 ' N ' ' A' ' 188' ' ' TRP . 12.3 tt -73.63 -51.63 24.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.585 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 188' ' ' TRP . . . . . 0.636 ' N ' HG23 ' A' ' 187' ' ' ILE . 0.2 OUTLIER -30.77 -56.93 0.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.57 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 7.6 mmtt -175.71 128.28 0.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.572 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 190' ' ' LYS . . . . . . . . . . . . . 16.4 pttm -109.9 89.52 3.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.555 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 191' ' ' MET . . . . . . . . . . . . . 93.0 mtp -128.6 136.62 50.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.576 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.717 0 CA-C-O 118.023 -1.432 . . . . 0.0 110.866 -179.965 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.553 ' O ' HD12 ' A' ' 19' ' ' ILE . 2.6 p . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.823 0.344 . . . . 0.0 110.612 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.441 ' H ' ' HB2' ' A' ' 15' ' ' SER . 8.5 m -88.38 -9.48 52.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.56 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -79.94 -51.53 8.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.505 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.472 ' CD ' ' O ' ' A' ' 18' ' ' GLN . 22.2 tm0? -66.99 -24.26 66.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.494 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.553 HD12 ' O ' ' A' ' 15' ' ' SER . 93.9 mt -81.64 -55.45 7.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.535 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 53.0 ttp -53.06 -36.69 60.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.528 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.454 ' O ' HD13 ' A' ' 25' ' ' LEU . 34.4 mmtm -67.19 -46.21 74.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.516 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.434 HG22 ' O ' ' A' ' 22' ' ' THR . 32.0 m -72.31 -7.85 51.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.463 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -79.64 -53.97 4.13 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.537 ' O ' ' OE1' ' A' ' 28' ' ' GLN . . . -78.46 -9.07 59.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.762 0.315 . . . . 0.0 110.48 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.547 ' O ' ' C ' ' A' ' 26' ' ' LEU . 2.1 mp -86.86 -80.62 0.24 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.544 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.547 ' C ' ' O ' ' A' ' 25' ' ' LEU . 55.9 tp -26.97 -65.73 0.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.636 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.54 ' O ' HG12 ' A' ' 31' ' ' ILE . 6.3 tt -51.21 -57.93 7.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.541 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.568 ' O ' HD21 ' A' ' 45' ' ' LEU . 1.8 mp0 -47.42 -18.17 0.11 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.58 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.537 ' O ' ' N ' ' A' ' 31' ' ' ILE . . . -88.44 -72.67 1.28 Allowed Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 41.9 t80 -42.21 -18.93 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.828 0.347 . . . . 0.0 110.607 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.54 HG12 ' O ' ' A' ' 27' ' ' LEU . 31.0 mm -76.95 -69.08 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.595 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.599 ' HG2' ' O ' ' A' ' 32' ' ' GLN . 49.7 tt0 -79.03 30.14 0.21 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.548 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.412 ' H ' ' C ' ' A' ' 31' ' ' ILE . 67.4 t0 -113.08 -50.88 2.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.586 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.47 ' NH2' ' OD2' ' A' ' 71' ' ' ASP . 14.6 ptm180 -91.5 -26.49 18.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.588 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.456 ' CB ' HD22 ' A' ' 122' ' ' LEU . . . -99.76 -12.3 20.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.525 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.687 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 -179.946 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo . . . . . 0 N--CA 1.491 1.373 0 CA-C-O 120.833 0.264 . . . . 0.0 112.131 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.416 ' HG3' HD11 ' A' ' 125' ' ' LEU . 71.4 mm-40 -77.3 -16.08 59.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.606 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.568 HD21 ' O ' ' A' ' 28' ' ' GLN . 18.5 tp -93.16 67.82 4.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.519 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.566 ' O ' ' HB2' ' A' ' 47' ' ' LEU . . . -87.92 127.53 35.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.535 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.566 ' HB2' ' O ' ' A' ' 46' ' ' ALA . 22.5 tp . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.569 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 48.3 p-10 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.751 0.31 . . . . 0.0 110.533 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -78.46 -0.78 30.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.573 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 23.0 m -65.61 -39.52 91.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.564 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 12.5 t -83.74 -34.01 24.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.525 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -49.06 -55.11 13.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.552 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 30.0 ttpt -59.42 -48.51 81.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.587 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.639 HD23 ' O ' ' A' ' 59' ' ' LEU . 0.8 OUTLIER -61.2 -26.12 67.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.625 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.6 t -71.52 -35.31 70.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.527 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.09 -31.59 72.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.593 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 94.0 m -64.39 -37.75 88.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.532 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.471 HD12 ' N ' ' A' ' 63' ' ' LEU . 9.0 mp -75.41 -24.57 57.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.588 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 65.3 tttp -84.2 -36.81 22.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.595 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.425 ' O ' ' OE2' ' A' ' 69' ' ' GLU . 79.5 ttt180 -68.26 -44.88 74.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.591 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 18.8 tt -76.06 -35.2 28.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.586 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.424 ' O ' ' CB ' ' A' ' 71' ' ' ASP . . . -60.79 -45.5 96.34 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.418 ' O ' ' OD1' ' A' ' 68' ' ' ASP . 68.5 t0 -62.79 -34.39 77.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.804 0.335 . . . . 0.0 110.54 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.549 ' N ' ' OE1' ' A' ' 69' ' ' GLU . 0.3 OUTLIER -79.51 -58.69 3.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.527 -179.952 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 2.1 mt -55.01 -43.05 73.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.593 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.47 ' OD2' ' NH2' ' A' ' 34' ' ' ARG . 55.8 t0 -65.07 -8.72 17.66 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.581 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.5 t -96.39 7.06 47.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.6 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -93.0 111.36 22.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.576 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 98.1 mmm -68.23 -11.21 58.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.58 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -80.41 -67.23 0.79 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.571 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 54.9 tp -59.81 -40.27 87.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.585 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 7.2 tm0? -61.87 -37.86 86.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.579 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 76.1 ttt180 -68.6 -44.83 73.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.578 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.486 ' SD ' HG23 ' A' ' 182' ' ' THR . 74.0 mtp -54.55 -43.96 72.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.536 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.642 ' O ' HG12 ' A' ' 83' ' ' VAL . 84.0 mt -62.31 -23.7 32.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.519 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -86.09 -18.67 31.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.541 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -86.4 -15.48 40.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.585 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.874 HG13 ' O ' ' A' ' 83' ' ' VAL . 8.2 p -89.35 82.81 2.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.522 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.423 ' O ' ' O ' ' A' ' 83' ' ' VAL . 53.0 p-10 -40.62 162.43 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.552 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 72.8 p -119.63 119.99 35.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.585 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -148.9 -0.2 0.52 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.445 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.705 ' O ' HG12 ' A' ' 91' ' ' VAL . 45.8 t -175.83 88.6 0.29 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.493 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.495 ' O ' ' CB ' ' A' ' 92' ' ' PHE . 37.5 Cg_endo -69.27 -15.17 38.72 Favored 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.787 2.325 . . . . 0.0 112.116 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 16.8 ptt-85 -86.51 -33.95 20.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.573 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -79.55 -57.26 3.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.58 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.705 HG12 ' O ' ' A' ' 87' ' ' SER . 9.0 p -57.7 -51.1 74.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.501 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.651 ' N ' HG13 ' A' ' 91' ' ' VAL . 85.7 t80 -46.3 -52.06 13.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.471 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -67.97 -30.38 69.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.529 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 16.0 tpp180 -71.58 -57.95 3.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.503 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.623 HG23 ' N ' ' A' ' 96' ' ' ALA . 27.2 m -59.33 -48.04 88.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.567 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.623 ' N ' HG23 ' A' ' 95' ' ' VAL . . . -55.2 -27.61 47.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.581 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -81.93 -38.89 24.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.518 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 99' ' ' MET . 99.1 m-20 -63.1 -38.73 92.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.581 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . 0.53 ' HB2' HH21 ' A' ' 109' ' ' ARG . 64.7 mtt -38.36 -68.81 0.14 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.594 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.6 ' CD2' ' O ' ' A' ' 100' ' ' PHE . 16.3 p90 -111.29 57.48 0.63 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.568 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.2 t -74.72 -26.76 60.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.552 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . 0.532 ' O ' ' C ' ' A' ' 103' ' ' GLY . 54.6 p-10 -155.64 -18.35 0.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.52 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.532 ' C ' ' O ' ' A' ' 102' ' ' ASP . . . -26.25 -80.71 0.01 OUTLIER Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . 0.606 ' O ' ' CG ' ' A' ' 105' ' ' PHE . 10.1 m-20 174.49 34.36 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.795 0.331 . . . . 0.0 110.597 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.606 ' CG ' ' O ' ' A' ' 104' ' ' ASN . 27.8 p90 42.67 29.0 0.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.616 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.52 ' O ' ' HB2' ' A' ' 107' ' ' TRP . 28.2 p30 -52.07 -110.46 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.559 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' TRP . . . . . 0.549 ' HE1' HD12 ' A' ' 148' ' ' LEU . 6.5 t90 174.67 -26.28 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.542 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . 0.592 ' O ' HG12 ' A' ' 111' ' ' VAL . . . -50.14 -42.06 39.65 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . 0.53 HH21 ' HB2' ' A' ' 99' ' ' MET . 0.0 OUTLIER -48.1 -26.2 1.76 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.847 0.356 . . . . 0.0 110.506 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.538 HG21 ' NE1' ' A' ' 107' ' ' TRP . 36.5 t -52.49 -57.93 3.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.553 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.592 HG12 ' O ' ' A' ' 108' ' ' GLY . 4.7 p -45.24 -46.79 3.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.578 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.58 ' N ' HG13 ' A' ' 111' ' ' VAL . . . -58.09 -34.98 70.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.525 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.664 ' O ' HD23 ' A' ' 113' ' ' LEU . 1.9 tt -57.0 -46.87 81.96 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.557 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -57.16 -44.05 83.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.495 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 93.1 t80 -68.01 -43.63 78.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.508 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.462 ' CE2' HG21 ' A' ' 95' ' ' VAL . 93.2 t80 -59.0 -41.79 88.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.58 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.499 ' O ' HG23 ' A' ' 121' ' ' VAL . . . -71.03 -32.53 69.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.56 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 5.3 t -48.6 -44.43 37.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.581 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.818 ' O ' ' CB ' ' A' ' 123' ' ' LYS . 57.8 mmtt -59.63 -43.71 93.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.497 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 52.6 mt -68.02 -31.57 71.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.544 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.726 HG13 HG23 ' A' ' 133' ' ' ILE . 55.8 t -76.84 -53.5 14.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.602 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.456 HD22 ' CB ' ' A' ' 35' ' ' ALA . 70.7 mt -72.89 -41.0 65.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.493 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.818 ' CB ' ' O ' ' A' ' 119' ' ' LYS . 65.4 tttm -58.01 -41.25 82.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.571 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.531 ' O ' ' OG1' ' A' ' 127' ' ' THR . . . -75.44 -22.23 57.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.504 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.42 HD12 ' HA ' ' A' ' 125' ' ' LEU . 37.5 tp -62.9 -32.4 73.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.548 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 1.6 t -82.9 -36.02 25.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.55 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.751 ' O ' ' HB2' ' A' ' 128' ' ' LYS . 33.2 p -53.21 -19.15 2.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.59 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . 0.751 ' HB2' ' O ' ' A' ' 127' ' ' THR . 66.3 mttm 87.62 44.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.584 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . 0.482 ' CG2' ' OG1' ' A' ' 127' ' ' THR . 0.5 OUTLIER -147.74 89.53 5.34 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.601 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' PRO . . . . . 0.403 ' HA ' HG12 ' A' ' 133' ' ' ILE . 43.4 Cg_endo -71.6 -13.73 30.09 Favored 'Trans proline' 0 C--N 1.304 -1.774 0 C-N-CA 122.713 2.275 . . . . 0.0 112.006 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -65.06 -40.68 95.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.555 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 8.6 mp -61.57 -34.08 74.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.472 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.726 HG23 HG13 ' A' ' 121' ' ' VAL . 21.2 mm -56.81 -50.16 76.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.489 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 78.9 mtp85 -69.09 -34.81 75.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.543 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 7.2 m -67.2 -31.89 72.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.514 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . 0.437 HG21 ' CG2' ' A' ' 121' ' ' VAL . 39.2 mt -69.9 -58.78 4.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.512 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . 0.431 ' HG2' HE22 ' A' ' 28' ' ' GLN . 12.2 mtp -46.45 -25.53 0.68 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.52 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -68.69 -40.45 85.55 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 139' ' ' TRP . . . . . 0.518 ' CD1' ' N ' ' A' ' 139' ' ' TRP . 11.9 m0 -66.36 -24.42 66.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.756 0.313 . . . . 0.0 110.508 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 140' ' ' THR . . . . . 0.468 ' OG1' ' N ' ' A' ' 141' ' ' LEU . 23.4 p -75.51 -65.93 0.84 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.526 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . 0.468 ' N ' ' OG1' ' A' ' 140' ' ' THR . 53.4 mt -51.71 -33.71 35.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.48 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -65.65 -51.12 61.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.577 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . 0.523 ' O ' ' HB2' ' A' ' 147' ' ' ARG . 39.1 t80 -66.86 -38.81 87.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.568 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.546 HD12 ' HB2' ' A' ' 148' ' ' LEU . 1.4 tp -71.12 -35.45 71.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.535 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 59.1 ttp180 -83.06 -10.66 58.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.549 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -111.98 -4.66 14.46 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.569 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . 1.151 ' O ' ' N ' ' A' ' 149' ' ' LEU . 0.7 OUTLIER -142.18 -110.89 0.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.572 -179.902 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . 0.818 ' H ' HD22 ' A' ' 148' ' ' LEU . 1.0 OUTLIER -15.4 -27.83 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.561 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . 1.151 ' N ' ' O ' ' A' ' 147' ' ' ARG . 42.2 tp -49.02 -56.37 9.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.567 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -63.8 -50.67 59.64 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 151' ' ' TRP . . . . . . . . . . . . . 95.5 m95 -66.29 -55.82 14.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.784 0.326 . . . . 0.0 110.559 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 152' ' ' ILE . . . . . 0.697 ' N ' ' O ' ' A' ' 148' ' ' LEU . 9.5 tt -51.37 -34.21 14.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.581 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 55.8 tt0 -67.48 -31.2 71.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.594 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -89.21 -4.54 58.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.574 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -97.4 0.63 48.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.548 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 83.81 24.71 48.49 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 89.71 -160.36 28.82 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . 65.0 m95 -73.85 -5.61 42.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.76 0.315 . . . . 0.0 110.615 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -60.98 -42.36 98.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.569 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -54.4 -32.19 51.89 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . 0.558 HD23 ' O ' ' A' ' 161' ' ' LEU . 2.0 tt -62.95 -53.99 45.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.818 0.342 . . . . 0.0 110.58 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 56.3 tp -67.06 -31.05 71.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.606 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 5.3 t -66.79 -26.47 66.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.475 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 94.3 t80 -76.39 -42.78 43.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.553 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -71.64 47.82 0.14 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.518 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -130.58 38.6 1.92 Allowed Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 167' ' ' THR . . . . . 1.069 ' OG1' ' HD2' ' A' ' 168' ' ' PRO . 0.6 OUTLIER -108.04 -179.33 0.68 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 120.915 0.388 . . . . 0.0 110.611 179.953 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 168' ' ' PRO . . . . . 1.069 ' HD2' ' OG1' ' A' ' 167' ' ' THR . 56.1 Cg_endo -74.41 -146.71 0.03 OUTLIER 'Trans proline' 0 C--N 1.304 -1.768 0 C-N-CA 122.891 2.394 . . . . 0.0 112.073 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 169' ' ' THR . . . . . 0.6 ' C ' ' O ' ' A' ' 168' ' ' PRO . 32.9 p -21.65 100.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.492 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 170' ' ' TRP . . . . . 0.684 ' O ' HG22 ' A' ' 173' ' ' VAL . 29.5 p90 -64.49 -18.46 64.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.613 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 171' ' ' GLN . . . . . 0.547 ' NE2' ' OG1' ' A' ' 172' ' ' THR . 5.4 pp0? -47.31 -14.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.524 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 172' ' ' THR . . . . . 0.547 ' OG1' ' NE2' ' A' ' 171' ' ' GLN . 99.4 m -87.13 -29.46 21.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.504 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 173' ' ' VAL . . . . . 0.684 HG22 ' O ' ' A' ' 170' ' ' TRP . 2.0 m -72.18 -45.61 61.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.529 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 174' ' ' THR . . . . . 0.566 ' N ' ' CG2' ' A' ' 173' ' ' VAL . 25.1 m -64.59 -24.87 67.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.541 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 175' ' ' ILE . . . . . 0.518 HG22 ' O ' ' A' ' 172' ' ' THR . 1.8 tt -85.79 -7.61 10.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.544 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 176' ' ' PHE . . . . . 0.483 ' O ' HG12 ' A' ' 180' ' ' VAL . 62.7 t80 -94.52 -60.14 1.78 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.603 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 3.2 m -62.07 -16.75 16.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.516 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 178' ' ' ALA . . . . . 0.623 ' O ' ' OG1' ' A' ' 182' ' ' THR . . . -95.58 -45.86 6.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.567 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -62.36 -26.16 67.64 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 180' ' ' VAL . . . . . 0.699 HG13 ' N ' ' A' ' 181' ' ' LEU . 13.7 p -86.25 -51.65 12.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.783 0.325 . . . . 0.0 110.601 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 181' ' ' LEU . . . . . 0.699 ' N ' HG13 ' A' ' 180' ' ' VAL . 40.6 tp -69.33 -47.93 62.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.573 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 182' ' ' THR . . . . . 0.623 ' OG1' ' O ' ' A' ' 178' ' ' ALA . 25.8 m -50.54 -51.32 48.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.551 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -47.45 -45.68 26.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.561 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 184' ' ' SER . . . . . . . . . . . . . 27.5 t -54.47 -37.9 65.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.559 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 61.2 mt -77.55 -21.83 51.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.556 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 21.8 m -73.2 -44.87 59.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.539 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 187' ' ' ILE . . . . . 0.638 HG23 ' N ' ' A' ' 188' ' ' TRP . 12.5 tt -73.76 -51.46 24.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.634 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 188' ' ' TRP . . . . . 0.638 ' N ' HG23 ' A' ' 187' ' ' ILE . 0.1 OUTLIER -30.81 -56.94 0.22 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.523 179.94 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 8.0 mmtt -175.71 128.24 0.24 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.538 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 190' ' ' LYS . . . . . . . . . . . . . 14.8 ptmt -109.81 89.56 3.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.679 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 191' ' ' MET . . . . . . . . . . . . . 83.8 mtp -128.64 136.55 50.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.539 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.804 0 CA-C-O 117.996 -1.447 . . . . 0.0 110.941 179.977 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.84 ' O ' HD12 ' A' ' 19' ' ' ILE . 10.2 p . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.845 0.355 . . . . 0.0 110.598 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 58.2 m -98.74 -14.58 19.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.569 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -93.03 -50.55 5.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.572 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.426 ' NE2' ' OG1' ' A' ' 22' ' ' THR . 15.3 tm0? -55.82 -32.84 63.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.647 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.84 HD12 ' O ' ' A' ' 15' ' ' SER . 88.1 mt -75.06 -51.13 22.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.645 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 54.8 ttp -57.39 -36.22 71.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.709 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.441 ' O ' HD12 ' A' ' 25' ' ' LEU . 25.0 mtpp -68.11 -43.78 77.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.708 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.426 ' OG1' ' NE2' ' A' ' 18' ' ' GLN . 46.8 m -72.78 -13.64 61.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.635 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -74.85 -54.14 6.0 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.05 -10.89 59.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.797 0.332 . . . . 0.0 110.644 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.532 ' O ' ' C ' ' A' ' 26' ' ' LEU . 36.9 mt -86.31 -78.7 0.27 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.598 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.532 ' C ' ' O ' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -28.69 -64.69 0.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.663 179.933 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.405 ' C ' ' N ' ' A' ' 29' ' ' GLY . 6.0 tp -52.34 -56.72 12.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.641 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.48 ' HG2' HD21 ' A' ' 45' ' ' LEU . 0.9 OUTLIER -48.49 -18.1 0.21 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.579 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.531 ' O ' ' N ' ' A' ' 31' ' ' ILE . . . -88.63 -72.29 1.27 Allowed Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 41.9 t80 -42.51 -18.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.789 0.328 . . . . 0.0 110.532 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.531 ' N ' ' O ' ' A' ' 29' ' ' GLY . 87.1 mt -76.94 -68.95 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.613 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.555 ' O ' ' HG3' ' A' ' 32' ' ' GLN . 55.4 tp60 -79.06 29.8 0.21 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.533 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.412 ' H ' ' C ' ' A' ' 31' ' ' ILE . 59.3 t0 -112.76 -51.17 2.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.529 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 -91.21 -27.02 18.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.536 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.468 ' CB ' HD22 ' A' ' 122' ' ' LEU . . . -98.89 -13.05 20.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.576 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.705 0 N-CA-C 110.845 -0.902 . . . . 0.0 110.845 179.973 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo . . . . . 0 N--CA 1.49 1.301 0 CA-C-O 120.834 0.264 . . . . 0.0 112.074 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 51.3 mp0 -91.83 -13.01 32.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.615 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.48 HD21 ' HG2' ' A' ' 28' ' ' GLN . 43.3 tp -97.5 61.23 1.64 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.596 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.527 ' O ' ' HB2' ' A' ' 47' ' ' LEU . . . -66.83 143.89 56.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.535 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.527 ' HB2' ' O ' ' A' ' 46' ' ' ALA . 3.3 tp . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.51 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 68.2 t0 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.73 0.3 . . . . 0.0 110.579 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -79.66 1.77 25.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.603 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 44.0 m -62.31 -38.92 91.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.544 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 76.9 p -83.98 -34.17 24.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.596 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -49.19 -55.26 13.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.595 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -59.31 -48.51 81.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.61 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.619 HD23 ' O ' ' A' ' 59' ' ' LEU . 0.8 OUTLIER -61.26 -26.07 67.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.605 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.5 t -71.57 -35.27 70.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.508 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 76.1 mt-10 -64.09 -31.58 72.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.539 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.43 ' O ' HG22 ' A' ' 66' ' ' ILE . 90.8 m -64.47 -37.67 88.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.498 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.45 HD12 ' N ' ' A' ' 63' ' ' LEU . 10.1 mp -75.41 -24.61 57.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.577 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -84.32 -36.6 22.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.626 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.428 ' O ' ' OE2' ' A' ' 69' ' ' GLU . 99.7 mtt180 -68.52 -44.5 74.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.556 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.43 HG22 ' O ' ' A' ' 62' ' ' CYS . 20.6 tt -76.42 -35.07 26.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.638 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.425 ' O ' ' CB ' ' A' ' 71' ' ' ASP . . . -61.02 -45.41 96.65 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -62.68 -34.37 76.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.782 0.325 . . . . 0.0 110.59 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.549 ' N ' ' OE1' ' A' ' 69' ' ' GLU . 0.3 OUTLIER -79.63 -58.45 3.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.596 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.16 -43.11 73.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.514 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.425 ' CB ' ' O ' ' A' ' 67' ' ' GLY . 38.7 t70 -64.97 -8.83 17.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.561 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.9 t -96.38 7.05 47.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.525 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -92.93 111.44 23.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.578 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 41.8 ttp -68.33 -11.12 59.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.513 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -80.44 -67.21 0.79 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.549 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 7.2 tp -59.82 -40.28 87.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.598 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 8.3 tm0? -61.85 -37.9 86.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.552 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 74.2 ttt180 -68.49 -44.9 73.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.587 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.486 ' SD ' HG23 ' A' ' 182' ' ' THR . 74.1 mtp -54.56 -43.8 72.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.588 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.641 ' O ' HG12 ' A' ' 83' ' ' VAL . 84.4 mt -62.4 -23.73 33.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.531 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -86.06 -18.64 31.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.619 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -86.6 -15.15 40.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.569 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.885 HG13 ' O ' ' A' ' 83' ' ' VAL . 7.3 p -89.66 82.68 2.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.608 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.411 ' O ' ' O ' ' A' ' 83' ' ' VAL . 55.4 p-10 -40.73 161.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.524 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 67.3 p -119.23 119.65 34.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.549 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -148.4 -0.15 0.57 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.472 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.676 ' O ' HG12 ' A' ' 91' ' ' VAL . 37.1 t -175.84 87.69 0.29 Allowed Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.545 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.497 ' O ' ' CB ' ' A' ' 92' ' ' PHE . 36.3 Cg_endo -68.28 -15.4 42.39 Favored 'Trans proline' 0 C--N 1.305 -1.76 0 C-N-CA 122.829 2.353 . . . . 0.0 112.065 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 33.6 ptt-85 -85.66 -35.6 20.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.532 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -78.13 -58.38 3.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.567 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.676 HG12 ' O ' ' A' ' 87' ' ' SER . 10.2 p -56.28 -51.71 60.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.538 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.667 ' N ' HG13 ' A' ' 91' ' ' VAL . 85.9 t80 -45.84 -52.43 11.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.503 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -67.74 -30.61 70.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.474 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 15.9 tpp180 -71.33 -58.0 3.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.582 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.62 HG23 ' N ' ' A' ' 96' ' ' ALA . 28.4 m -59.36 -48.05 88.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.538 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.62 ' N ' HG23 ' A' ' 95' ' ' VAL . . . -55.13 -27.72 47.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.529 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -81.76 -38.89 24.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.571 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.41 ' O ' ' C ' ' A' ' 99' ' ' MET . 99.7 m-20 -63.22 -38.64 91.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.537 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . 0.533 ' HB2' HH21 ' A' ' 109' ' ' ARG . 63.9 mtt -38.29 -68.92 0.14 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.554 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.601 ' CD2' ' O ' ' A' ' 100' ' ' PHE . 16.5 p90 -111.3 57.51 0.63 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.531 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.4 t -74.64 -26.83 60.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.533 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . 0.552 ' O ' ' C ' ' A' ' 103' ' ' GLY . 55.7 p-10 -155.59 -18.4 0.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.59 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.552 ' C ' ' O ' ' A' ' 102' ' ' ASP . . . -26.3 -80.72 0.01 OUTLIER Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . 0.608 ' O ' ' CG ' ' A' ' 105' ' ' PHE . 10.6 m-20 174.5 34.44 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.841 0.353 . . . . 0.0 110.522 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.608 ' CG ' ' O ' ' A' ' 104' ' ' ASN . 30.7 p90 42.61 29.19 0.15 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.541 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.519 ' CG ' ' H ' ' A' ' 107' ' ' TRP . 28.5 p30 -52.16 -110.43 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.541 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' TRP . . . . . 0.546 ' NE1' HG21 ' A' ' 110' ' ' VAL . 6.4 t90 174.53 -26.22 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.522 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . 0.596 ' O ' HG12 ' A' ' 111' ' ' VAL . . . -50.06 -42.16 39.13 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . 0.533 HH21 ' HB2' ' A' ' 99' ' ' MET . 0.0 OUTLIER -48.14 -26.1 1.74 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.764 0.316 . . . . 0.0 110.494 -179.921 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.546 HG21 ' NE1' ' A' ' 107' ' ' TRP . 37.4 t -52.63 -57.84 3.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.569 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.596 HG12 ' O ' ' A' ' 108' ' ' GLY . 4.8 p -45.3 -46.78 3.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.589 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.584 ' N ' HG13 ' A' ' 111' ' ' VAL . . . -58.13 -34.87 70.71 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.513 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.659 ' O ' HD23 ' A' ' 113' ' ' LEU . 1.8 tt -56.95 -46.88 81.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.523 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -57.25 -43.99 83.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.554 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 91.9 t80 -68.0 -43.62 78.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.446 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.451 ' CE2' HG21 ' A' ' 95' ' ' VAL . 92.9 t80 -59.04 -41.86 88.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.527 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.489 ' O ' HG23 ' A' ' 121' ' ' VAL . . . -70.98 -32.56 69.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.558 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 4.4 t -48.61 -44.34 36.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.554 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.821 ' O ' ' CB ' ' A' ' 123' ' ' LYS . 57.8 mmtt -59.71 -43.67 94.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.538 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 56.4 mt -68.18 -31.28 70.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.535 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.724 HG13 HG23 ' A' ' 133' ' ' ILE . 61.2 t -77.02 -53.56 14.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.572 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.468 HD22 ' CB ' ' A' ' 35' ' ' ALA . 69.4 mt -72.83 -40.98 65.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.596 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.821 ' CB ' ' O ' ' A' ' 119' ' ' LYS . 65.5 tttm -58.16 -41.04 82.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.535 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.52 ' O ' ' OG1' ' A' ' 127' ' ' THR . . . -75.68 -21.89 57.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.534 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 40.3 tp -63.0 -32.29 73.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.598 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' CYS . . . . . 0.435 ' SG ' ' N ' ' A' ' 127' ' ' THR . 17.6 p -83.21 -35.72 25.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.587 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.758 ' O ' ' HB2' ' A' ' 128' ' ' LYS . 35.2 p -53.63 -19.11 3.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.559 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . 0.758 ' HB2' ' O ' ' A' ' 127' ' ' THR . 60.7 mttp 87.61 44.92 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.62 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . 0.498 ' CG2' ' OG1' ' A' ' 127' ' ' THR . 0.2 OUTLIER -147.92 88.79 5.45 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.614 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -70.68 -14.22 33.01 Favored 'Trans proline' 0 C--N 1.305 -1.747 0 C-N-CA 122.737 2.291 . . . . 0.0 112.07 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -64.63 -41.16 96.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.517 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 8.5 mp -60.99 -34.24 74.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.517 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.724 HG23 HG13 ' A' ' 121' ' ' VAL . 21.0 mm -56.74 -50.08 75.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.471 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 17.4 mmm180 -69.22 -34.85 75.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.423 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 7.4 m -67.07 -31.92 72.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.497 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . 0.425 HG21 ' CG2' ' A' ' 121' ' ' VAL . 44.8 mt -69.81 -58.89 4.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.492 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 86.3 mtp -46.46 -25.49 0.68 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.539 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -68.57 -40.56 86.02 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 139' ' ' TRP . . . . . 0.517 ' CD1' ' N ' ' A' ' 139' ' ' TRP . 12.2 m0 -66.34 -24.43 66.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.841 0.353 . . . . 0.0 110.501 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 140' ' ' THR . . . . . 0.504 ' OG1' ' N ' ' A' ' 141' ' ' LEU . 15.4 p -75.49 -65.86 0.84 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.521 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . 0.504 ' N ' ' OG1' ' A' ' 140' ' ' THR . 54.2 mt -51.72 -33.65 35.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.514 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -65.75 -51.01 62.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.613 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . 0.527 ' O ' ' HB2' ' A' ' 147' ' ' ARG . 39.8 t80 -66.85 -38.88 87.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.552 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.602 HD12 ' HB2' ' A' ' 148' ' ' LEU . 2.4 tp -71.1 -35.44 71.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.523 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 58.9 ttp180 -83.08 -10.63 58.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.563 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -112.05 -4.57 14.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.604 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . 1.152 ' O ' ' N ' ' A' ' 149' ' ' LEU . 0.6 OUTLIER -142.28 -110.91 0.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.527 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . 0.819 ' H ' HD22 ' A' ' 148' ' ' LEU . 1.0 OUTLIER -15.31 -27.8 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.575 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . 1.152 ' N ' ' O ' ' A' ' 147' ' ' ARG . 59.2 tp -49.15 -56.2 9.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.638 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -63.97 -50.62 59.56 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 151' ' ' TRP . . . . . . . . . . . . . 99.6 m95 -66.25 -55.78 14.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.786 0.327 . . . . 0.0 110.613 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 152' ' ' ILE . . . . . 0.697 ' N ' ' O ' ' A' ' 148' ' ' LEU . 10.5 tt -51.35 -34.39 15.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.532 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . 0.683 ' NE2' HD11 ' A' ' 149' ' ' LEU . 50.4 mt-30 -67.39 -31.27 71.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.596 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -89.08 -4.47 58.33 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.592 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -97.55 0.82 48.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.609 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 83.73 24.63 49.07 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 89.85 -160.32 28.61 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.949 -0.861 . . . . 0.0 110.949 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 158' ' ' TRP . . . . . 0.414 ' CD1' HD11 ' A' ' 152' ' ' ILE . 53.6 m95 -73.94 -5.71 42.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.781 0.324 . . . . 0.0 110.556 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 67.5 t0 -60.88 -42.37 97.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.615 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -54.5 -32.15 52.58 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . 0.581 HD23 ' O ' ' A' ' 161' ' ' LEU . 2.0 tt -62.89 -54.14 43.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.818 0.342 . . . . 0.0 110.538 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 53.0 tp -67.0 -31.02 71.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.607 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 5.3 t -66.83 -26.28 66.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.483 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 93.6 t80 -76.66 -42.56 41.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.567 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -71.67 47.87 0.14 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.611 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -130.88 39.08 1.84 Allowed Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 167' ' ' THR . . . . . 1.041 ' OG1' ' HD2' ' A' ' 168' ' ' PRO . 0.6 OUTLIER -108.48 -179.81 0.74 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 120.909 0.385 . . . . 0.0 110.558 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 168' ' ' PRO . . . . . 1.041 ' HD2' ' OG1' ' A' ' 167' ' ' THR . 52.8 Cg_endo -73.48 -145.83 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.739 0 C-N-CA 122.837 2.358 . . . . 0.0 112.133 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 169' ' ' THR . . . . . 0.59 ' C ' ' O ' ' A' ' 168' ' ' PRO . 7.3 p -22.88 101.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.61 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 170' ' ' TRP . . . . . 0.691 ' O ' HG22 ' A' ' 173' ' ' VAL . 36.2 p90 -64.65 -18.54 65.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.557 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 171' ' ' GLN . . . . . 0.524 ' NE2' ' OG1' ' A' ' 172' ' ' THR . 5.4 pp0? -47.16 -14.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.604 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 172' ' ' THR . . . . . 0.526 ' O ' HG22 ' A' ' 175' ' ' ILE . 5.2 m -86.78 -29.67 22.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.611 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 173' ' ' VAL . . . . . 0.691 HG22 ' O ' ' A' ' 170' ' ' TRP . 2.0 m -72.02 -45.6 62.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.577 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 174' ' ' THR . . . . . 0.562 ' N ' ' CG2' ' A' ' 173' ' ' VAL . 25.5 m -64.67 -24.86 67.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.544 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 175' ' ' ILE . . . . . 0.526 HG22 ' O ' ' A' ' 172' ' ' THR . 1.7 tt -85.79 -7.47 10.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.552 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 176' ' ' PHE . . . . . 0.486 ' O ' HG12 ' A' ' 180' ' ' VAL . 64.0 t80 -94.63 -59.99 1.81 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.624 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 3.2 m -62.21 -16.61 16.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.612 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 178' ' ' ALA . . . . . 0.628 ' O ' ' OG1' ' A' ' 182' ' ' THR . . . -95.54 -45.96 6.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.583 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -62.33 -26.11 67.53 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 180' ' ' VAL . . . . . 0.696 HG13 ' N ' ' A' ' 181' ' ' LEU . 13.8 p -86.3 -51.7 12.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.764 0.316 . . . . 0.0 110.515 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 181' ' ' LEU . . . . . 0.696 ' N ' HG13 ' A' ' 180' ' ' VAL . 43.9 tp -69.4 -47.88 62.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.592 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 182' ' ' THR . . . . . 0.628 ' OG1' ' O ' ' A' ' 178' ' ' ALA . 25.2 m -50.54 -51.38 48.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.581 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -47.35 -45.7 25.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.574 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 184' ' ' SER . . . . . . . . . . . . . 27.2 t -54.44 -37.89 65.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.587 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 61.1 mt -77.52 -21.81 52.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.609 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 20.8 m -73.24 -44.81 58.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.612 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 187' ' ' ILE . . . . . 0.637 HG23 ' N ' ' A' ' 188' ' ' TRP . 12.2 tt -73.7 -51.54 24.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.604 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 188' ' ' TRP . . . . . 0.637 ' N ' HG23 ' A' ' 187' ' ' ILE . 0.2 OUTLIER -30.87 -56.91 0.22 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.54 -179.952 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 7.9 mmtt -175.7 128.27 0.25 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.567 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 190' ' ' LYS . . . . . . . . . . . . . 34.9 pttt -109.81 89.47 3.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.625 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 191' ' ' MET . . . . . . . . . . . . . 83.5 mtp -128.54 136.59 50.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.578 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.726 0 CA-C-O 117.988 -1.451 . . . . 0.0 110.922 -179.985 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.795 ' O ' ' CD1' ' A' ' 19' ' ' ILE . 11.2 p . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.757 0.313 . . . . 0.0 110.601 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.418 ' H ' ' HB2' ' A' ' 15' ' ' SER . 20.6 m -95.87 -9.03 32.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.629 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -86.39 -49.78 7.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.642 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 98.3 mm-40 -66.16 -23.62 66.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.569 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.795 ' CD1' ' O ' ' A' ' 15' ' ' SER . 70.4 mt -81.76 -55.02 8.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.521 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 52.4 ttp -53.67 -36.33 62.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.46 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.405 ' O ' HD23 ' A' ' 25' ' ' LEU . 94.5 mttt -67.54 -45.92 74.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.481 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 40.3 p -72.49 -7.77 51.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.591 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -79.9 -53.98 4.05 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.21 -9.33 59.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.837 0.351 . . . . 0.0 110.512 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.547 ' O ' ' C ' ' A' ' 26' ' ' LEU . 2.1 mm? -86.72 -80.68 0.24 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.529 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.547 ' C ' ' O ' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -26.99 -65.53 0.07 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.624 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.49 ' N ' HD12 ' A' ' 27' ' ' LEU . 10.8 mp -51.39 -57.75 8.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.558 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.521 ' NE2' ' C ' ' A' ' 28' ' ' GLN . 0.0 OUTLIER -47.58 -18.04 0.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.582 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.539 ' O ' ' N ' ' A' ' 31' ' ' ILE . . . -88.64 -72.67 1.28 Allowed Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 44.8 t80 -42.23 -18.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.804 0.335 . . . . 0.0 110.598 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.539 ' N ' ' O ' ' A' ' 29' ' ' GLY . 73.1 mt -77.02 -69.1 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.568 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.86 29.77 0.2 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.636 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.412 ' H ' ' C ' ' A' ' 31' ' ' ILE . 68.3 t0 -112.7 -51.32 2.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.52 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 -90.95 -27.29 18.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.524 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.469 ' CB ' HD22 ' A' ' 122' ' ' LEU . . . -98.81 -12.8 20.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.606 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.677 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 -179.985 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo . . . . . 0 N--CA 1.49 1.32 0 CA-C-O 120.806 0.252 . . . . 0.0 112.126 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 70.9 mt-10 -93.25 -9.81 37.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.564 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.422 HD22 ' HA ' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -103.53 66.1 0.86 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.53 -179.934 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -74.05 138.39 44.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.594 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.458 ' HA ' HD12 ' A' ' 47' ' ' LEU . 28.0 tp . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.536 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.782 0.325 . . . . 0.0 110.523 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -85.23 -3.14 58.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.567 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 72.6 p -56.65 -40.24 75.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.597 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 72.8 p -80.27 -33.75 37.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.578 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -51.06 -54.4 25.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.566 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 30.7 ttpt -60.42 -47.48 85.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.454 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.642 HD23 ' O ' ' A' ' 59' ' ' LEU . 0.9 OUTLIER -62.11 -26.44 68.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.568 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.6 t -71.38 -35.41 71.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.491 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -63.7 -31.83 73.12 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.589 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.444 ' O ' HG22 ' A' ' 66' ' ' ILE . 97.6 m -64.19 -37.88 89.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.547 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.464 HD12 ' N ' ' A' ' 63' ' ' LEU . 9.9 mp -75.29 -24.77 57.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.534 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -84.2 -36.69 22.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.595 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.436 ' O ' ' OE2' ' A' ' 69' ' ' GLU . 99.5 mtt180 -68.46 -44.51 74.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.571 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.444 HG22 ' O ' ' A' ' 62' ' ' CYS . 20.7 tt -76.47 -35.09 25.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.507 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.425 ' O ' ' CB ' ' A' ' 71' ' ' ASP . . . -60.97 -45.48 96.5 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 48.1 t0 -62.7 -34.28 76.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.793 0.33 . . . . 0.0 110.621 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.539 ' N ' ' OE1' ' A' ' 69' ' ' GLU . 0.3 OUTLIER -79.69 -58.41 3.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.598 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.19 -43.05 74.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.579 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.425 ' CB ' ' O ' ' A' ' 67' ' ' GLY . 38.5 t70 -65.05 -8.8 17.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.558 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.3 t -96.35 7.02 47.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.557 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -92.97 111.5 23.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.547 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 96.0 mmm -68.31 -11.12 58.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.59 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -80.52 -67.16 0.8 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.569 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 7.3 tp -59.9 -40.26 88.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.544 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.749 HE22 ' HZ2' ' A' ' 119' ' ' LYS . 68.0 tp60 -61.74 -37.97 86.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.55 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 -68.56 -44.94 73.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.552 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.485 ' SD ' HG23 ' A' ' 182' ' ' THR . 73.4 mtp -54.42 -43.99 72.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.545 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.641 ' O ' HG12 ' A' ' 83' ' ' VAL . 83.1 mt -62.33 -23.71 32.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.613 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -85.99 -18.77 31.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.562 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -86.49 -15.3 40.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.552 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.875 HG13 ' O ' ' A' ' 83' ' ' VAL . 8.0 p -89.57 82.64 2.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.586 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.426 ' O ' ' O ' ' A' ' 83' ' ' VAL . 56.1 p-10 -40.49 162.3 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.575 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 63.7 p -119.53 119.45 33.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.593 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -148.34 -0.17 0.58 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.467 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.695 ' O ' HG12 ' A' ' 91' ' ' VAL . 46.8 t -175.9 88.91 0.28 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.516 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.488 ' O ' ' CB ' ' A' ' 92' ' ' PHE . 37.9 Cg_endo -69.61 -14.93 37.3 Favored 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.791 2.327 . . . . 0.0 112.08 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 17.4 ptt-85 -86.81 -33.61 19.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.486 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -79.98 -57.22 3.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.495 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.695 HG12 ' O ' ' A' ' 87' ' ' SER . 9.6 p -57.94 -50.87 76.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.5 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.651 ' N ' HG13 ' A' ' 91' ' ' VAL . 85.5 t80 -46.34 -51.93 13.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.578 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -68.14 -30.35 69.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.515 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 15.9 tpp180 -71.62 -57.85 4.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.542 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.621 HG23 ' N ' ' A' ' 96' ' ' ALA . 27.8 m -59.48 -48.0 88.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.471 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.621 ' N ' HG23 ' A' ' 95' ' ' VAL . . . -55.22 -27.63 47.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.552 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -81.88 -38.9 24.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.494 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 99' ' ' MET . 92.5 m-20 -63.27 -38.56 91.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.514 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . 0.542 ' HB2' HH21 ' A' ' 109' ' ' ARG . 64.0 mtt -38.45 -68.81 0.14 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.532 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.6 ' CD2' ' O ' ' A' ' 100' ' ' PHE . 17.2 p90 -111.31 57.44 0.63 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.544 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.2 t -74.62 -26.9 60.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.537 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . 0.533 ' O ' ' C ' ' A' ' 103' ' ' GLY . 55.9 p-10 -155.53 -18.36 0.11 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.504 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.533 ' C ' ' O ' ' A' ' 102' ' ' ASP . . . -26.38 -80.72 0.01 OUTLIER Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . 0.607 ' O ' ' CG ' ' A' ' 105' ' ' PHE . 10.3 m-20 174.57 34.33 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.766 0.317 . . . . 0.0 110.614 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.607 ' CG ' ' O ' ' A' ' 104' ' ' ASN . 30.6 p90 42.7 29.04 0.14 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.574 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.521 ' O ' ' HB2' ' A' ' 107' ' ' TRP . 27.9 p30 -52.13 -110.46 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.598 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' TRP . . . . . 0.543 ' NE1' HG21 ' A' ' 110' ' ' VAL . 6.6 t90 174.7 -26.21 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.599 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . 0.595 ' O ' HG12 ' A' ' 111' ' ' VAL . . . -50.07 -42.07 39.07 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . 0.542 HH21 ' HB2' ' A' ' 99' ' ' MET . 0.0 OUTLIER -48.14 -26.18 1.78 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.869 0.366 . . . . 0.0 110.584 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.543 HG21 ' NE1' ' A' ' 107' ' ' TRP . 33.8 t -52.5 -57.9 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.57 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.595 HG12 ' O ' ' A' ' 108' ' ' GLY . 4.8 p -45.22 -46.81 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.521 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.579 ' N ' HG13 ' A' ' 111' ' ' VAL . . . -57.94 -35.35 70.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.551 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.653 ' O ' HD23 ' A' ' 113' ' ' LEU . 1.8 tt -56.69 -46.89 80.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.525 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . 0.445 ' CZ ' ' CG1' ' A' ' 110' ' ' VAL . 9.9 m-85 -56.97 -44.19 82.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.559 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 93.4 t80 -68.04 -43.7 78.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.522 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.453 ' CE2' HG21 ' A' ' 95' ' ' VAL . 93.3 t80 -58.94 -41.9 88.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.538 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.491 ' O ' HG23 ' A' ' 121' ' ' VAL . . . -70.93 -32.51 69.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.575 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 5.1 t -48.67 -44.42 37.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.507 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.819 ' O ' ' CB ' ' A' ' 123' ' ' LYS . 58.0 mmtt -59.65 -43.63 93.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.558 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 53.3 mt -68.13 -31.31 70.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.551 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.735 HG13 HG23 ' A' ' 133' ' ' ILE . 59.3 t -77.09 -53.45 14.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.564 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.469 HD22 ' CB ' ' A' ' 35' ' ' ALA . 69.0 mt -73.08 -40.5 64.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.674 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.819 ' CB ' ' O ' ' A' ' 119' ' ' LYS . 88.7 tttt -58.35 -40.86 83.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.609 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.509 ' O ' ' OG1' ' A' ' 127' ' ' THR . . . -76.29 -20.98 56.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.561 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 5.0 tt -64.01 -31.0 72.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.598 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 1.7 t -85.01 -34.44 22.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.527 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.777 ' O ' ' HB2' ' A' ' 128' ' ' LYS . 32.9 p -54.25 -18.76 4.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.525 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . 0.777 ' HB2' ' O ' ' A' ' 127' ' ' THR . 27.5 mmtp 88.13 43.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.58 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . 0.49 ' CG2' ' OG1' ' A' ' 127' ' ' THR . 0.3 OUTLIER -147.48 90.7 5.18 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.578 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -72.79 -13.15 26.78 Favored 'Trans proline' 0 C--N 1.304 -1.767 0 C-N-CA 122.807 2.338 . . . . 0.0 112.009 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -65.69 -40.78 92.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.485 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 8.5 mp -61.12 -33.76 73.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.559 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.735 HG23 HG13 ' A' ' 121' ' ' VAL . 21.7 mm -57.07 -49.91 78.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.504 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 90.0 mtm180 -69.2 -34.72 75.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.529 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 7.3 m -67.51 -31.84 72.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.491 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . 0.417 HG21 ' CG2' ' A' ' 121' ' ' VAL . 45.4 mt -69.8 -58.71 4.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.576 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 85.8 mtp -46.51 -25.52 0.7 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.559 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -68.71 -40.45 85.48 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 139' ' ' TRP . . . . . 0.509 ' CD1' ' N ' ' A' ' 139' ' ' TRP . 12.6 m0 -66.33 -24.42 66.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.806 0.336 . . . . 0.0 110.531 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 140' ' ' THR . . . . . 0.469 ' OG1' ' N ' ' A' ' 141' ' ' LEU . 22.8 p -75.51 -65.94 0.83 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.524 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . 0.469 ' N ' ' OG1' ' A' ' 140' ' ' THR . 50.8 mt -51.76 -33.55 35.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.576 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -65.79 -51.03 62.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.559 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . 0.425 ' O ' ' HB2' ' A' ' 147' ' ' ARG . 5.7 t80 -66.86 -38.91 87.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.517 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.568 HD12 ' HB2' ' A' ' 148' ' ' LEU . 1.8 tp -71.09 -35.49 71.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.558 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 58.2 ttp180 -83.05 -10.59 58.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.554 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -112.0 -4.75 14.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.603 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . 1.152 ' O ' ' N ' ' A' ' 149' ' ' LEU . 12.2 mtp180 -142.11 -110.84 0.13 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.546 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . 0.816 ' H ' HD22 ' A' ' 148' ' ' LEU . 1.0 OUTLIER -15.39 -27.76 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.567 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . 1.152 ' N ' ' O ' ' A' ' 147' ' ' ARG . 43.7 tp -49.06 -56.37 9.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.583 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -63.91 -50.59 59.95 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 151' ' ' TRP . . . . . . . . . . . . . 99.3 m95 -66.25 -55.91 13.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.83 0.348 . . . . 0.0 110.541 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 152' ' ' ILE . . . . . 0.697 ' N ' ' O ' ' A' ' 148' ' ' LEU . 10.5 tt -51.28 -34.34 14.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.553 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 46.5 tt0 -67.49 -31.16 71.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.597 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -89.09 -4.67 58.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.62 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -97.38 0.76 48.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.584 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 83.75 24.64 48.93 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 89.77 -160.4 28.77 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 158' ' ' TRP . . . . . 0.502 ' CD1' HD11 ' A' ' 152' ' ' ILE . 32.4 m95 -73.86 -5.68 42.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.851 0.358 . . . . 0.0 110.57 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -60.89 -42.43 97.99 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.586 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -54.39 -32.26 51.94 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . 0.578 HD23 ' O ' ' A' ' 161' ' ' LEU . 2.1 tt -62.86 -54.05 44.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.878 0.37 . . . . 0.0 110.597 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 58.6 tp -66.99 -31.23 71.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.545 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 5.3 t -66.65 -26.51 67.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.54 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 93.5 t80 -76.25 -42.82 44.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.55 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -71.66 47.95 0.14 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.542 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -130.69 38.79 1.89 Allowed Glycine 0 CA--C 1.526 0.74 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 167' ' ' THR . . . . . 1.093 ' OG1' ' HD2' ' A' ' 168' ' ' PRO . 0.6 OUTLIER -108.28 -178.84 0.61 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 120.846 0.355 . . . . 0.0 110.609 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 168' ' ' PRO . . . . . 1.093 ' HD2' ' OG1' ' A' ' 167' ' ' THR . 56.9 Cg_endo -74.83 -146.77 0.03 OUTLIER 'Trans proline' 0 C--N 1.304 -1.782 0 C-N-CA 122.875 2.384 . . . . 0.0 112.227 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 169' ' ' THR . . . . . 0.601 ' C ' ' O ' ' A' ' 168' ' ' PRO . 29.3 p -21.64 100.31 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.546 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 170' ' ' TRP . . . . . 0.687 ' O ' HG22 ' A' ' 173' ' ' VAL . 34.0 p90 -64.14 -18.58 64.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.566 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 171' ' ' GLN . . . . . 0.51 ' NE2' ' OG1' ' A' ' 172' ' ' THR . 5.3 pp0? -47.35 -13.97 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.571 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 172' ' ' THR . . . . . 0.514 ' O ' HG22 ' A' ' 175' ' ' ILE . 5.0 m -87.14 -29.56 21.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.507 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 173' ' ' VAL . . . . . 0.687 HG22 ' O ' ' A' ' 170' ' ' TRP . 2.0 m -71.96 -45.73 62.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.593 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 174' ' ' THR . . . . . 0.566 ' N ' ' CG2' ' A' ' 173' ' ' VAL . 24.9 m -64.51 -24.94 67.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.55 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 175' ' ' ILE . . . . . 0.514 HG22 ' O ' ' A' ' 172' ' ' THR . 1.7 tt -85.81 -7.5 10.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.585 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 176' ' ' PHE . . . . . 0.483 ' O ' HG12 ' A' ' 180' ' ' VAL . 63.9 t80 -94.67 -60.07 1.79 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.548 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 3.2 m -62.09 -16.66 16.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.59 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 178' ' ' ALA . . . . . 0.624 ' O ' ' OG1' ' A' ' 182' ' ' THR . . . -95.57 -45.87 6.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.516 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -62.4 -26.15 67.71 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 180' ' ' VAL . . . . . 0.698 HG13 ' N ' ' A' ' 181' ' ' LEU . 13.7 p -86.25 -51.71 12.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.796 0.331 . . . . 0.0 110.574 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 181' ' ' LEU . . . . . 0.698 ' N ' HG13 ' A' ' 180' ' ' VAL . 41.1 tp -69.21 -48.08 63.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.595 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 182' ' ' THR . . . . . 0.624 ' OG1' ' O ' ' A' ' 178' ' ' ALA . 25.8 m -50.5 -51.32 48.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.588 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -47.4 -45.66 25.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.587 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 184' ' ' SER . . . . . . . . . . . . . 27.7 t -54.57 -37.87 65.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.526 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 61.5 mt -77.64 -21.65 51.91 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.586 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 21.0 m -73.28 -44.86 58.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.548 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 187' ' ' ILE . . . . . 0.638 HG23 ' N ' ' A' ' 188' ' ' TRP . 12.4 tt -73.71 -51.52 24.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.636 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 188' ' ' TRP . . . . . 0.638 ' N ' HG23 ' A' ' 187' ' ' ILE . 0.1 OUTLIER -30.81 -56.82 0.22 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.642 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 8.0 mmtt -175.83 128.18 0.24 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.589 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 190' ' ' LYS . . . . . . . . . . . . . 13.1 ptpt -109.77 89.53 3.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.597 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 191' ' ' MET . . . . . . . . . . . . . 83.1 mtp -128.6 136.54 50.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.527 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.779 0 CA-C-O 117.983 -1.454 . . . . 0.0 110.985 179.943 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.902 ' O ' HD12 ' A' ' 19' ' ' ILE . 1.7 p . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.773 0.32 . . . . 0.0 110.697 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 29.4 m -95.18 -18.59 20.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.541 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -92.78 -49.08 6.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.59 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -56.58 -33.65 66.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.64 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.902 HD12 ' O ' ' A' ' 15' ' ' SER . 64.8 mt -73.95 -50.35 29.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.602 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 48.4 ttp -58.06 -36.21 72.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.655 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.421 ' O ' HD23 ' A' ' 25' ' ' LEU . 96.6 mttt -68.17 -43.67 77.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.667 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 66.8 m -72.82 -14.26 61.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.611 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -74.2 -54.23 6.4 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.685 ' O ' ' CG ' ' A' ' 28' ' ' GLN . . . -77.17 -10.83 59.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.747 0.308 . . . . 0.0 110.571 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.533 ' O ' ' C ' ' A' ' 26' ' ' LEU . 1.9 mm? -86.22 -78.63 0.27 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.572 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.533 ' C ' ' O ' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -28.96 -64.59 0.1 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.534 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.406 ' O ' HG13 ' A' ' 31' ' ' ILE . 57.0 mt -52.33 -56.89 11.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.586 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.846 ' NE2' HD11 ' A' ' 45' ' ' LEU . 64.2 mm-40 -48.43 -18.12 0.21 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.602 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.532 ' O ' ' N ' ' A' ' 31' ' ' ILE . . . -88.47 -72.47 1.28 Allowed Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 43.4 t80 -42.39 -18.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.805 0.336 . . . . 0.0 110.574 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.532 ' N ' ' O ' ' A' ' 29' ' ' GLY . 90.2 mt -76.97 -69.03 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.564 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.542 ' O ' ' CG ' ' A' ' 32' ' ' GLN . 4.9 tt0 -78.99 29.86 0.21 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.519 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.412 ' H ' ' C ' ' A' ' 31' ' ' ILE . 65.9 t0 -112.85 -51.05 2.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.561 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.4 ' NH2' ' OD2' ' A' ' 71' ' ' ASP . 15.9 ptm180 -91.23 -26.97 18.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.602 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.471 ' CB ' HD22 ' A' ' 122' ' ' LEU . . . -99.25 -12.77 20.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.56 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.664 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.963 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_exo . . . . . 0 N--CA 1.493 1.467 0 CA-C-O 120.837 0.265 . . . . 0.0 112.06 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.427 ' OE1' ' N ' ' A' ' 44' ' ' GLU . 57.2 mp0 -90.11 -12.99 36.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.579 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.846 HD11 ' NE2' ' A' ' 28' ' ' GLN . 32.0 tp -100.88 68.94 1.31 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.554 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.486 ' O ' ' CD1' ' A' ' 47' ' ' LEU . . . -77.57 140.56 39.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.608 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.486 ' CD1' ' O ' ' A' ' 46' ' ' ALA . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.571 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.829 0.347 . . . . 0.0 110.518 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -84.07 -2.84 57.46 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.618 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 10.4 t -56.74 -39.42 73.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.548 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 79.4 p -81.04 -33.84 33.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.603 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 30.0 ttpt -50.63 -54.71 20.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.538 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 30.3 ttpt -60.04 -47.56 85.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.661 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.5 mt -62.1 -26.44 68.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.541 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.7 t -71.16 -35.49 71.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.571 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 76.6 mt-10 -63.65 -31.91 73.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.539 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 94.5 m -64.24 -37.83 88.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.591 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.463 HD12 ' N ' ' A' ' 63' ' ' LEU . 10.9 mp -75.23 -24.65 57.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.598 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -84.29 -36.65 22.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.503 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.441 ' O ' ' OE2' ' A' ' 69' ' ' GLU . 99.7 mtt180 -68.59 -44.42 74.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.575 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 19.0 tt -76.5 -35.04 25.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.599 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.426 ' O ' ' CB ' ' A' ' 71' ' ' ASP . . . -61.01 -45.42 96.65 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 44.0 t0 -62.7 -34.35 76.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.85 0.357 . . . . 0.0 110.61 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.526 ' N ' ' OE1' ' A' ' 69' ' ' GLU . 0.3 OUTLIER -79.53 -58.57 3.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.563 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 2.2 mt -55.18 -43.06 74.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.55 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.426 ' CB ' ' O ' ' A' ' 67' ' ' GLY . 52.8 t0 -65.09 -8.72 17.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.602 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.5 t -96.33 7.0 47.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.62 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -92.95 111.51 23.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.535 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 51.8 ttp -68.34 -11.13 59.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.552 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -80.39 -67.33 0.78 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.571 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 56.0 tp -59.79 -40.2 87.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.642 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 45.0 tt0 -61.83 -37.93 86.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.592 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 75.8 ttt180 -68.5 -44.86 73.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.65 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.422 ' SD ' HG23 ' A' ' 182' ' ' THR . 54.8 mtt -54.56 -43.84 72.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.624 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.644 ' O ' HG12 ' A' ' 83' ' ' VAL . 82.5 mt -62.4 -23.8 33.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.573 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -85.89 -18.73 31.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.584 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -86.56 -15.19 40.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.6 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.872 HG13 ' O ' ' A' ' 83' ' ' VAL . 7.7 p -89.65 82.82 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.563 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 50.3 p-10 -41.54 161.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.546 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 79.4 m -118.72 121.95 41.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.598 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -150.7 0.27 0.41 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.46 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.648 ' O ' HG12 ' A' ' 91' ' ' VAL . 43.5 t -175.77 85.03 0.29 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.51 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.515 ' O ' ' CB ' ' A' ' 92' ' ' PHE . 28.6 Cg_endo -65.68 -17.13 56.02 Favored 'Trans proline' 0 C--N 1.305 -1.753 0 C-N-CA 122.781 2.321 . . . . 0.0 112.069 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 17.3 ptt-85 -84.63 -35.74 22.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.465 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -77.16 -58.61 3.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.52 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.665 HG13 ' N ' ' A' ' 92' ' ' PHE . 9.8 p -56.47 -51.94 58.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.553 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.665 ' N ' HG13 ' A' ' 91' ' ' VAL . 84.8 t80 -45.38 -52.95 9.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.479 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -67.19 -30.76 70.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.538 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 15.7 tpp180 -71.16 -58.27 3.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.482 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.627 HG23 ' N ' ' A' ' 96' ' ' ALA . 28.4 m -59.13 -48.23 87.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.553 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.627 ' N ' HG23 ' A' ' 95' ' ' VAL . . . -54.87 -27.75 45.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.542 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -81.82 -38.99 24.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.555 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 99' ' ' MET . 99.7 m-20 -63.02 -38.81 92.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.558 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . 0.539 ' HB2' HH21 ' A' ' 109' ' ' ARG . 64.6 mtt -38.29 -68.92 0.14 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.548 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.608 ' CD2' ' O ' ' A' ' 100' ' ' PHE . 17.2 p90 -111.24 57.64 0.62 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.498 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.3 t -74.79 -26.77 59.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.571 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . 0.535 ' O ' ' C ' ' A' ' 103' ' ' GLY . 55.2 p-10 -155.63 -18.38 0.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.605 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.535 ' C ' ' O ' ' A' ' 102' ' ' ASP . . . -26.27 -80.75 0.01 OUTLIER Glycine 0 CA--C 1.524 0.594 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . 0.609 ' O ' ' CG ' ' A' ' 105' ' ' PHE . 9.1 m-20 174.57 34.31 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.725 0.298 . . . . 0.0 110.491 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.609 ' CG ' ' O ' ' A' ' 104' ' ' ASN . 31.0 p90 42.72 29.17 0.15 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.56 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.523 ' O ' ' HB2' ' A' ' 107' ' ' TRP . 26.9 p30 -52.2 -110.33 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.604 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' TRP . . . . . 0.529 ' HE1' HD12 ' A' ' 148' ' ' LEU . 6.3 t90 174.47 -26.11 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.617 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . 0.598 ' O ' HG12 ' A' ' 111' ' ' VAL . . . -50.2 -42.07 40.16 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . 0.539 HH21 ' HB2' ' A' ' 99' ' ' MET . 0.0 OUTLIER -48.18 -25.99 1.72 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.818 0.342 . . . . 0.0 110.575 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.529 HG21 ' NE1' ' A' ' 107' ' ' TRP . 37.2 t -52.69 -57.83 3.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.57 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.598 HG12 ' O ' ' A' ' 108' ' ' GLY . 4.9 p -45.27 -46.82 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.527 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.583 ' N ' HG13 ' A' ' 111' ' ' VAL . . . -58.04 -35.05 70.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.602 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.668 ' O ' HD23 ' A' ' 113' ' ' LEU . 2.0 tt -56.89 -46.73 81.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.539 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . 0.446 ' CZ ' ' CG1' ' A' ' 110' ' ' VAL . 10.0 m-85 -57.29 -43.93 83.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.544 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 92.0 t80 -68.23 -43.4 78.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.448 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.456 ' CE2' HG21 ' A' ' 95' ' ' VAL . 93.0 t80 -59.19 -41.87 89.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.552 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.506 ' O ' HG23 ' A' ' 121' ' ' VAL . . . -71.08 -32.47 69.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.549 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 5.0 t -48.59 -44.16 36.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.516 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.817 ' O ' ' CB ' ' A' ' 123' ' ' LYS . 58.7 mmtt -60.13 -43.69 95.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.504 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 52.5 mt -68.03 -30.96 70.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.531 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.704 HG13 HG23 ' A' ' 133' ' ' ILE . 58.5 t -77.39 -53.59 14.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.542 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.471 HD22 ' CB ' ' A' ' 35' ' ' ALA . 69.7 mt -72.74 -40.92 65.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.587 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.817 ' CB ' ' O ' ' A' ' 119' ' ' LYS . 88.8 tttt -58.08 -41.01 82.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.548 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.514 ' O ' ' OG1' ' A' ' 127' ' ' THR . . . -75.85 -21.57 57.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.488 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.406 HD12 ' HA ' ' A' ' 125' ' ' LEU . 43.1 tp -63.52 -31.84 73.12 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.593 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 5.7 t -83.65 -35.32 24.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.549 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.739 ' O ' ' HB2' ' A' ' 128' ' ' LYS . 35.5 p -54.07 -19.59 5.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.497 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . 0.739 ' HB2' ' O ' ' A' ' 127' ' ' THR . 77.9 mttt 87.57 46.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.56 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . 0.491 ' CG2' ' OG1' ' A' ' 127' ' ' THR . 0.2 OUTLIER -148.9 85.97 5.86 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.543 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' PRO . . . . . 0.408 ' HA ' HG12 ' A' ' 133' ' ' ILE . 34.4 Cg_endo -67.66 -15.84 45.41 Favored 'Trans proline' 0 C--N 1.305 -1.761 0 C-N-CA 122.762 2.308 . . . . 0.0 112.037 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 46.7 tt0 -62.96 -42.71 99.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.469 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 8.6 mp -59.51 -34.41 72.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.502 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.704 HG23 HG13 ' A' ' 121' ' ' VAL . 22.2 mm -56.65 -50.35 74.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.548 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . 0.429 HH21 ' H ' ' A' ' 46' ' ' ALA . 2.1 mpt_? -69.04 -34.84 75.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.464 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 8.9 m -67.07 -31.96 72.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.517 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . 0.422 HG21 ' CG2' ' A' ' 121' ' ' VAL . 44.7 mt -69.72 -58.99 4.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.558 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 5.2 ptm -46.3 -25.52 0.64 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.542 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -68.57 -40.51 86.07 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 139' ' ' TRP . . . . . 0.503 ' CD1' ' N ' ' A' ' 139' ' ' TRP . 13.4 m0 -66.44 -24.31 66.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.833 0.349 . . . . 0.0 110.578 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 140' ' ' THR . . . . . 0.478 ' OG1' ' N ' ' A' ' 141' ' ' LEU . 20.7 p -75.59 -65.75 0.86 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.513 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . 0.478 ' N ' ' OG1' ' A' ' 140' ' ' THR . 53.0 mt -51.89 -33.62 37.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.508 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -65.64 -51.14 61.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.568 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . 0.437 ' O ' ' HB2' ' A' ' 147' ' ' ARG . 5.4 t80 -66.8 -38.89 87.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.53 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.562 HD12 ' HB2' ' A' ' 148' ' ' LEU . 1.8 tp -71.02 -35.58 72.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.563 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 58.9 ttp180 -82.96 -10.76 58.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.559 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -111.97 -4.64 14.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.589 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . 1.153 ' O ' ' N ' ' A' ' 149' ' ' LEU . 11.0 mtp180 -142.18 -110.91 0.13 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.536 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . 0.812 ' H ' HD22 ' A' ' 148' ' ' LEU . 1.0 OUTLIER -15.27 -27.81 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.598 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . 1.153 ' N ' ' O ' ' A' ' 147' ' ' ARG . 60.7 tp -49.14 -56.32 9.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.554 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -63.9 -50.63 59.67 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 151' ' ' TRP . . . . . . . . . . . . . 99.0 m95 -66.23 -55.84 14.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.825 0.345 . . . . 0.0 110.541 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 152' ' ' ILE . . . . . 0.697 ' N ' ' O ' ' A' ' 148' ' ' LEU . 10.8 tt -51.37 -34.3 15.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.572 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -67.38 -31.39 71.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.56 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -89.0 -4.43 58.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.521 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -97.61 0.79 47.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.555 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 83.65 24.57 49.61 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 89.91 -160.33 28.55 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 158' ' ' TRP . . . . . 0.482 ' CD1' HD11 ' A' ' 152' ' ' ILE . 34.1 m95 -74.01 -5.56 42.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.803 0.335 . . . . 0.0 110.587 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 65.1 t0 -61.03 -42.32 98.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.588 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -54.56 -32.04 52.94 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . 0.583 HD23 ' O ' ' A' ' 161' ' ' LEU . 2.0 tt -63.07 -53.92 46.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.872 0.368 . . . . 0.0 110.565 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 56.9 tp -67.26 -30.86 70.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.592 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 22.0 t -67.11 -25.73 66.35 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.586 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 93.2 t80 -77.24 -42.39 37.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.574 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -71.6 48.27 0.14 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.584 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -131.57 39.58 1.75 Allowed Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 167' ' ' THR . . . . . 0.943 ' OG1' ' HD2' ' A' ' 168' ' ' PRO . 0.6 OUTLIER -108.98 177.55 1.23 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 120.867 0.365 . . . . 0.0 110.577 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 168' ' ' PRO . . . . . 0.943 ' HD2' ' OG1' ' A' ' 167' ' ' THR . 38.1 Cg_endo -69.64 -145.15 0.02 OUTLIER 'Trans proline' 0 C--N 1.304 -1.774 0 C-N-CA 122.808 2.339 . . . . 0.0 112.064 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 169' ' ' THR . . . . . 0.578 ' C ' ' O ' ' A' ' 168' ' ' PRO . 20.6 p -24.73 103.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.551 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 170' ' ' TRP . . . . . 0.68 ' O ' HG22 ' A' ' 173' ' ' VAL . 31.1 p90 -66.08 -18.61 65.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.571 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 171' ' ' GLN . . . . . 0.53 ' NE2' ' OG1' ' A' ' 172' ' ' THR . 5.4 pp0? -47.0 -14.29 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.479 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 172' ' ' THR . . . . . 0.53 ' OG1' ' NE2' ' A' ' 171' ' ' GLN . 5.0 m -86.85 -29.48 22.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.58 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 173' ' ' VAL . . . . . 0.68 HG22 ' O ' ' A' ' 170' ' ' TRP . 2.0 m -72.17 -45.56 61.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.619 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 174' ' ' THR . . . . . 0.567 ' N ' ' CG2' ' A' ' 173' ' ' VAL . 24.9 m -64.63 -24.97 67.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.557 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 175' ' ' ILE . . . . . 0.516 HG22 ' O ' ' A' ' 172' ' ' THR . 1.7 tt -85.72 -7.41 10.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.613 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 176' ' ' PHE . . . . . 0.484 ' O ' HG12 ' A' ' 180' ' ' VAL . 63.8 t80 -94.71 -60.09 1.78 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.497 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 3.1 m -62.13 -16.62 16.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.595 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 178' ' ' ALA . . . . . 0.618 ' O ' ' OG1' ' A' ' 182' ' ' THR . . . -95.57 -45.92 6.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.575 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -62.31 -26.18 67.56 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 180' ' ' VAL . . . . . 0.699 HG13 ' N ' ' A' ' 181' ' ' LEU . 13.6 p -86.23 -51.78 12.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.837 0.351 . . . . 0.0 110.586 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 181' ' ' LEU . . . . . 0.699 ' N ' HG13 ' A' ' 180' ' ' VAL . 42.0 tp -69.23 -47.98 63.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.614 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 182' ' ' THR . . . . . 0.618 ' OG1' ' O ' ' A' ' 178' ' ' ALA . 26.5 m -50.54 -51.41 48.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.552 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -47.33 -45.61 24.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.622 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 184' ' ' SER . . . . . . . . . . . . . 27.8 t -54.53 -37.85 65.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.552 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 58.4 mt -77.7 -21.72 51.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.517 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 20.5 m -73.22 -44.79 59.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.635 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 187' ' ' ILE . . . . . 0.635 HG23 ' N ' ' A' ' 188' ' ' TRP . 12.2 tt -73.72 -51.67 23.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.556 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 188' ' ' TRP . . . . . 0.635 ' N ' HG23 ' A' ' 187' ' ' ILE . 0.2 OUTLIER -30.66 -56.98 0.21 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.59 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 8.1 mmtt -175.78 128.25 0.24 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.559 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 190' ' ' LYS . . . . . . . . . . . . . 36.4 pttt -109.91 89.53 3.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.561 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 191' ' ' MET . . . . . . . . . . . . . 82.8 mtp -128.56 136.57 50.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.518 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.819 0 CA-C-O 118.036 -1.424 . . . . 0.0 110.888 179.962 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.7 ptt? . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.66 ' OD1' ' N ' ' A' ' 3' ' ' GLY . 48.6 p-10 -65.21 -40.6 94.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.532 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.66 ' N ' ' OD1' ' A' ' 2' ' ' ASP . . . 81.06 -80.89 1.67 Allowed Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 18.0 m -152.53 -22.68 0.17 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.769 0.319 . . . . 0.0 110.584 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 162.41 -161.75 33.83 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 1.018 ' O ' ' HB3' ' A' ' 7' ' ' GLN . 7.7 tp10 -128.4 103.0 6.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.771 0.319 . . . . 0.0 110.575 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 1.018 ' HB3' ' O ' ' A' ' 6' ' ' GLU . 3.7 tp-100 97.04 66.98 0.01 OUTLIER Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.539 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.538 ' O ' ' O ' ' A' ' 7' ' ' GLN . 43.9 Cg_exo -51.87 -138.43 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.722 0 C-N-CA 122.788 2.325 . . . . 0.0 112.136 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 58.1 mtp180 -124.08 144.57 49.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.595 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.436 ' O ' ' C ' ' A' ' 11' ' ' GLY . . . -175.7 98.44 0.12 Allowed Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 10' ' ' GLY . . . -36.26 124.25 0.83 Allowed Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.439 ' H ' ' HD3' ' A' ' 13' ' ' PRO . . . 104.51 71.15 0.83 Allowed Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.799 ' O ' ' N ' ' A' ' 15' ' ' SER . 50.3 Cg_exo -49.12 -65.46 0.16 Allowed 'Trans proline' 0 C--N 1.305 -1.751 0 CA-C-O 113.446 -2.814 . . . . 0.0 112.117 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.722 ' O ' ' O ' ' A' ' 15' ' ' SER . 1.7 p -46.74 43.16 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 O-C-N 128.932 3.895 . . . . 0.0 110.469 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.799 ' N ' ' O ' ' A' ' 13' ' ' PRO . 94.2 p -47.65 -148.69 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.646 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.3 m -97.82 -17.22 19.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.591 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.44 ' HA ' ' OE1' ' A' ' 17' ' ' GLU . 47.1 mm-40 -63.73 -52.35 60.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.593 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.54 ' CD ' ' O ' ' A' ' 18' ' ' GLN . 3.4 tm0? -70.23 -20.45 63.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.565 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.775 HD12 ' O ' ' A' ' 15' ' ' SER . 87.2 mt -84.29 -56.08 6.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.541 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 46.4 ttp -52.19 -37.27 54.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.571 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.402 ' O ' HD23 ' A' ' 25' ' ' LEU . 40.7 tptt -66.51 -46.89 74.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.517 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.47 HG22 ' O ' ' A' ' 22' ' ' THR . 47.7 m -71.86 -7.09 46.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.517 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -80.18 -54.1 3.93 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.71 -8.71 58.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.809 0.338 . . . . 0.0 110.517 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.552 ' O ' ' C ' ' A' ' 26' ' ' LEU . 2.1 mm? -86.99 -81.03 0.23 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.566 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.552 ' C ' ' O ' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -26.57 -65.88 0.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.587 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.421 ' C ' ' N ' ' A' ' 29' ' ' GLY . 4.6 tp -51.15 -57.96 7.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.559 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.42 ' HA ' HD12 ' A' ' 31' ' ' ILE . 7.4 tp-100 -47.28 -18.04 0.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.54 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.542 ' O ' ' N ' ' A' ' 31' ' ' ILE . . . -88.68 -72.77 1.28 Allowed Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.961 -0.855 . . . . 0.0 110.961 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 42.0 t80 -42.15 -18.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.77 0.319 . . . . 0.0 110.544 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.542 ' N ' ' O ' ' A' ' 29' ' ' GLY . 84.7 mt -76.97 -69.26 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.605 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.609 ' NE2' ' HB2' ' A' ' 43' ' ' PRO . 33.5 tt0 -78.85 30.16 0.2 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.564 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.415 ' H ' ' C ' ' A' ' 31' ' ' ILE . 67.0 t0 -113.17 -50.92 2.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.536 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 -91.38 -26.92 18.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.534 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.471 ' CB ' HD22 ' A' ' 122' ' ' LEU . . . -99.31 -12.66 20.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.575 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -60.53 90.82 0.05 OUTLIER Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.427 ' NH2' ' HA2' ' A' ' 40' ' ' GLY . 72.8 ttp85 -67.32 148.72 51.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.791 0.329 . . . . 0.0 110.551 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 66.9 mtt -87.16 136.18 33.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.559 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 83.73 9.66 82.6 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.427 ' HA2' ' NH2' ' A' ' 37' ' ' ARG . . . -94.19 86.1 1.06 Allowed Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.521 ' O ' ' HB3' ' A' ' 42' ' ' ALA . 42.0 tp10 -65.65 146.3 54.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.823 0.344 . . . . 0.0 110.535 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.521 ' HB3' ' O ' ' A' ' 41' ' ' GLU . . . 69.96 72.0 0.32 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.589 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.609 ' HB2' ' NE2' ' A' ' 32' ' ' GLN . 35.1 Cg_endo -67.91 139.66 48.06 Favored 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 122.765 2.31 . . . . 0.0 112.048 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -75.67 -15.13 60.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.65 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.863 ' N ' HD22 ' A' ' 45' ' ' LEU . 0.5 OUTLIER -93.6 64.28 3.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.609 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -83.49 131.79 34.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.579 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 175.74 -72.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.583 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.487 ' C ' ' OD1' ' A' ' 48' ' ' ASP . 0.3 OUTLIER -120.71 126.32 26.75 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.562 -179.928 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -53.9 -55.16 3.73 Favored 'Trans proline' 0 C--N 1.306 -1.696 0 C-N-CA 122.797 2.332 . . . . 0.0 111.989 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.988 ' CG2' ' HD2' ' A' ' 51' ' ' PRO . 10.8 p -162.91 151.14 11.8 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.478 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.988 ' HD2' ' CG2' ' A' ' 50' ' ' VAL . 36.8 Cg_endo -68.78 127.41 15.33 Favored 'Trans proline' 0 C--N 1.305 -1.746 0 C-N-CA 122.802 2.335 . . . . 0.0 112.08 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 82.5 mt-30 -74.88 -72.25 0.3 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.598 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.453 ' O ' ' OD1' ' A' ' 53' ' ' ASP . 50.7 p-10 -63.51 148.31 49.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.609 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -83.84 -2.31 56.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.576 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 13.9 t -58.07 -39.78 79.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.546 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 77.0 p -81.83 -33.83 30.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.572 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 31.5 tptt -50.43 -54.76 19.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.566 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 30.6 ttpt -59.9 -47.74 84.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.576 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.64 HD23 ' O ' ' A' ' 59' ' ' LEU . 0.9 OUTLIER -61.98 -26.33 68.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.541 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.5 t -71.37 -35.35 71.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.579 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -63.81 -31.74 73.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.582 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 93.3 m -64.28 -37.8 88.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.556 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.461 HD12 ' N ' ' A' ' 63' ' ' LEU . 10.0 mp -75.36 -24.65 57.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.525 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.9 ttpm? -84.28 -36.63 22.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.58 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.441 ' O ' ' OE2' ' A' ' 69' ' ' GLU . 99.7 mtt180 -68.53 -44.43 74.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.573 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 19.1 tt -76.52 -35.02 25.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.571 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.426 ' O ' ' CB ' ' A' ' 71' ' ' ASP . . . -61.08 -45.36 96.73 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 57.5 t0 -62.76 -34.32 76.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.806 0.336 . . . . 0.0 110.56 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.536 ' N ' ' OE1' ' A' ' 69' ' ' GLU . 0.3 OUTLIER -79.64 -58.54 3.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.54 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.447 ' O ' ' OE1' ' A' ' 77' ' ' GLN . 2.3 mt -55.07 -43.13 73.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.596 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.426 ' CB ' ' O ' ' A' ' 67' ' ' GLY . 54.3 t0 -65.03 -8.79 17.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.539 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.2 t -96.4 7.09 47.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.578 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.448 ' O ' ' OE1' ' A' ' 77' ' ' GLN . 7.7 m120 -93.0 111.46 23.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.578 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 95.8 mmm -68.27 -11.23 59.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.571 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -80.4 -67.19 0.79 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.581 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 54.8 tp -59.88 -40.26 88.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.576 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.448 ' OE1' ' O ' ' A' ' 73' ' ' ASN . 1.2 mp0 -61.75 -37.92 86.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.604 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 75.1 ttt180 -68.54 -44.87 73.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.591 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.488 ' SD ' HG23 ' A' ' 182' ' ' THR . 74.2 mtp -54.57 -43.86 72.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.593 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.644 ' O ' HG12 ' A' ' 83' ' ' VAL . 86.1 mt -62.37 -23.8 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.552 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -85.96 -18.65 32.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.596 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -86.66 -15.11 40.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.604 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.875 HG13 ' O ' ' A' ' 83' ' ' VAL . 7.7 p -89.69 82.58 2.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.604 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 55.3 p-10 -41.06 161.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.516 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 86.9 m -118.94 121.18 39.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.657 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -149.82 0.15 0.47 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.49 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.657 ' O ' HG12 ' A' ' 91' ' ' VAL . 47.4 t -175.94 86.31 0.29 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.512 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.509 ' O ' ' CB ' ' A' ' 92' ' ' PHE . 31.6 Cg_endo -66.95 -16.51 49.87 Favored 'Trans proline' 0 C--N 1.305 -1.738 0 C-N-CA 122.779 2.319 . . . . 0.0 112.051 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 16.2 ptt-85 -85.15 -34.96 22.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.509 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -78.27 -58.11 3.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.505 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.66 HG13 ' N ' ' A' ' 92' ' ' PHE . 9.6 p -56.98 -51.54 67.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.526 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.66 ' N ' HG13 ' A' ' 91' ' ' VAL . 81.0 t80 -45.79 -52.54 11.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.489 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -67.49 -30.67 70.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.522 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 15.9 tpp180 -71.36 -58.11 3.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.492 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.624 HG23 ' N ' ' A' ' 96' ' ' ALA . 28.8 m -59.24 -48.1 88.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.556 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.624 ' N ' HG23 ' A' ' 95' ' ' VAL . . . -55.04 -27.69 46.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.542 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -81.9 -38.9 24.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.546 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 99' ' ' MET . 99.5 m-20 -63.14 -38.7 92.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.532 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . 0.531 ' HB2' HH21 ' A' ' 109' ' ' ARG . 64.0 mtt -38.35 -68.95 0.13 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.537 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.601 ' CD2' ' O ' ' A' ' 100' ' ' PHE . 15.8 p90 -111.18 57.6 0.62 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.564 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.3 t -74.74 -26.8 60.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.571 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.535 ' O ' ' C ' ' A' ' 103' ' ' GLY . 54.6 p-10 -155.6 -18.3 0.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.536 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.535 ' C ' ' O ' ' A' ' 102' ' ' ASP . . . -26.37 -80.67 0.01 OUTLIER Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . 0.608 ' O ' ' CG ' ' A' ' 105' ' ' PHE . 28.1 t-20 174.5 34.42 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.804 0.335 . . . . 0.0 110.568 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.608 ' CG ' ' O ' ' A' ' 104' ' ' ASN . 32.0 p90 42.6 29.15 0.15 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.555 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.521 ' O ' ' HB2' ' A' ' 107' ' ' TRP . 28.5 p30 -52.2 -110.43 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.547 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' TRP . . . . . 0.543 ' NE1' HG21 ' A' ' 110' ' ' VAL . 6.7 t90 174.55 -26.15 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.561 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.58 ' O ' HG12 ' A' ' 111' ' ' VAL . . . -50.18 -42.07 40.0 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.531 HH21 ' HB2' ' A' ' 99' ' ' MET . 0.0 OUTLIER -48.14 -26.0 1.7 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.783 0.325 . . . . 0.0 110.582 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.543 HG21 ' NE1' ' A' ' 107' ' ' TRP . 36.6 t -52.68 -57.91 3.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.477 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.58 HG12 ' O ' ' A' ' 108' ' ' GLY . 4.5 p -45.24 -46.76 3.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.535 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.577 ' N ' HG13 ' A' ' 111' ' ' VAL . . . -58.12 -35.08 70.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.513 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.674 ' O ' HD23 ' A' ' 113' ' ' LEU . 2.2 tt -56.82 -46.76 81.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.541 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.433 ' CZ ' ' CG1' ' A' ' 110' ' ' VAL . 10.3 m-85 -57.25 -44.02 83.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.546 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 92.0 t80 -68.05 -43.58 78.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.511 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.463 ' CE2' HG21 ' A' ' 95' ' ' VAL . 94.0 t80 -59.12 -41.85 89.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.535 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.497 ' O ' HG23 ' A' ' 121' ' ' VAL . . . -71.01 -32.49 69.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.551 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 5.1 t -48.65 -44.21 37.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.496 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.819 ' O ' ' CB ' ' A' ' 123' ' ' LYS . 56.4 mmtt -59.98 -43.63 94.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.536 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 51.1 mt -68.17 -30.9 70.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.557 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.722 HG13 HG23 ' A' ' 133' ' ' ILE . 60.4 t -77.4 -53.49 14.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.562 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.471 HD22 ' CB ' ' A' ' 35' ' ' ALA . 68.4 mt -73.13 -40.52 64.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.529 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.819 ' CB ' ' O ' ' A' ' 119' ' ' LYS . 89.1 tttt -58.37 -40.86 83.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.542 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.465 ' O ' ' OG1' ' A' ' 127' ' ' THR . . . -76.3 -20.54 57.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.574 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 35.6 tp -64.44 -30.55 71.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.568 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . 0.497 ' SG ' ' N ' ' A' ' 127' ' ' THR . 8.5 p -84.57 -35.78 22.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.569 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.559 ' O ' ' CB ' ' A' ' 128' ' ' LYS . 38.8 p -54.35 -17.04 2.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.586 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.559 ' CB ' ' O ' ' A' ' 127' ' ' THR . 47.6 tttm 85.14 46.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.579 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.529 ' CG2' ' OG1' ' A' ' 127' ' ' THR . 0.2 OUTLIER -148.37 86.91 5.79 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.57 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . 0.405 ' HA ' HG12 ' A' ' 133' ' ' ILE . 37.6 Cg_endo -69.22 -15.44 39.12 Favored 'Trans proline' 0 C--N 1.304 -1.77 0 C-N-CA 122.84 2.36 . . . . 0.0 112.066 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -63.57 -42.02 98.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.504 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 8.6 mp -60.09 -34.19 73.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.521 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.722 HG23 HG13 ' A' ' 121' ' ' VAL . 21.4 mm -56.91 -50.05 76.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.51 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 91.2 mtm-85 -69.28 -34.69 75.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.502 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 8.3 m -67.23 -32.01 72.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.494 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.414 HG21 ' CG2' ' A' ' 121' ' ' VAL . 47.7 mt -69.68 -58.84 4.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.539 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 49.6 mtt -46.44 -25.58 0.69 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.523 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -68.56 -40.58 86.08 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' TRP . . . . . 0.51 ' CD1' ' N ' ' A' ' 139' ' ' TRP . 13.3 m0 -66.27 -24.52 66.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.804 0.335 . . . . 0.0 110.518 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' THR . . . . . 0.479 ' OG1' ' N ' ' A' ' 141' ' ' LEU . 20.1 p -75.5 -65.79 0.85 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.562 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.479 ' N ' ' OG1' ' A' ' 140' ' ' THR . 4.1 tp -51.83 -33.59 36.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.527 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -65.8 -51.08 61.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.56 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . 0.451 ' O ' ' HB2' ' A' ' 147' ' ' ARG . 38.6 t80 -66.73 -38.9 87.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.604 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.569 HD12 ' HB2' ' A' ' 148' ' ' LEU . 1.7 tp -71.06 -35.52 71.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.562 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 59.8 ttp180 -83.03 -10.67 58.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.569 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -112.0 -4.55 14.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.607 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . 1.153 ' O ' ' N ' ' A' ' 149' ' ' LEU . 22.8 mmt180 -142.28 -110.85 0.13 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.555 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . 0.815 ' H ' HD22 ' A' ' 148' ' ' LEU . 1.0 OUTLIER -15.42 -27.72 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.57 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . 1.153 ' N ' ' O ' ' A' ' 147' ' ' ARG . 1.2 tt -49.18 -56.2 10.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.574 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -63.97 -50.55 60.03 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' TRP . . . . . . . . . . . . . 34.0 m95 -66.36 -55.79 14.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.827 0.346 . . . . 0.0 110.56 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' ILE . . . . . 0.697 ' N ' ' O ' ' A' ' 148' ' ' LEU . 8.2 tt -51.36 -34.24 14.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.553 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -67.54 -31.17 71.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.57 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -89.16 -4.54 58.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.591 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -97.53 0.78 48.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.566 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 83.68 24.63 49.26 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 89.83 -160.3 28.62 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 158' ' ' TRP . . . . . 0.661 ' CE2' HD11 ' A' ' 152' ' ' ILE . 99.2 m95 -73.94 -5.69 42.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.778 0.323 . . . . 0.0 110.569 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -60.84 -42.45 97.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.593 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -54.44 -32.13 52.18 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . 0.579 HD23 ' O ' ' A' ' 161' ' ' LEU . 2.1 tt -63.02 -53.99 45.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.838 0.351 . . . . 0.0 110.566 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 44.1 tp -67.14 -31.06 71.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.539 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 5.1 t -66.81 -26.1 66.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.614 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 91.1 t80 -76.9 -42.51 39.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.591 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -71.66 48.13 0.14 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.588 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -131.3 39.53 1.76 Allowed Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 167' ' ' THR . . . . . 0.995 ' OG1' ' HD2' ' A' ' 168' ' ' PRO . 0.6 OUTLIER -108.94 178.58 1.01 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 120.898 0.38 . . . . 0.0 110.537 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 168' ' ' PRO . . . . . 0.995 ' HD2' ' OG1' ' A' ' 167' ' ' THR . 43.0 Cg_endo -71.45 -145.69 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.727 0 C-N-CA 122.777 2.318 . . . . 0.0 112.092 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 169' ' ' THR . . . . . 0.589 ' C ' ' O ' ' A' ' 168' ' ' PRO . 7.1 p -23.39 102.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.532 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 170' ' ' TRP . . . . . 0.688 ' O ' HG22 ' A' ' 173' ' ' VAL . 33.1 p90 -65.45 -18.52 65.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.551 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 171' ' ' GLN . . . . . 0.524 ' NE2' ' OG1' ' A' ' 172' ' ' THR . 5.4 pp0? -47.16 -14.35 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.581 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 172' ' ' THR . . . . . 0.524 ' OG1' ' NE2' ' A' ' 171' ' ' GLN . 4.9 m -86.73 -29.56 22.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.574 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 173' ' ' VAL . . . . . 0.688 HG22 ' O ' ' A' ' 170' ' ' TRP . 2.0 m -72.1 -45.64 61.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.596 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 174' ' ' THR . . . . . 0.566 ' N ' ' CG2' ' A' ' 173' ' ' VAL . 24.7 m -64.59 -24.95 67.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.535 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 175' ' ' ILE . . . . . 0.513 HG22 ' O ' ' A' ' 172' ' ' THR . 1.6 tt -85.75 -7.53 10.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.573 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 176' ' ' PHE . . . . . 0.487 ' O ' HG12 ' A' ' 180' ' ' VAL . 64.1 t80 -94.65 -60.05 1.79 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.563 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 3.2 m -62.11 -16.71 16.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.582 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 178' ' ' ALA . . . . . 0.625 ' O ' ' OG1' ' A' ' 182' ' ' THR . . . -95.52 -45.91 6.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.599 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -62.3 -26.2 67.59 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 180' ' ' VAL . . . . . 0.698 HG13 ' N ' ' A' ' 181' ' ' LEU . 13.8 p -86.24 -51.74 12.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.802 0.334 . . . . 0.0 110.557 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . 0.698 ' N ' HG13 ' A' ' 180' ' ' VAL . 38.2 tp -69.31 -47.96 62.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.604 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 182' ' ' THR . . . . . 0.625 ' OG1' ' O ' ' A' ' 178' ' ' ALA . 25.3 m -50.48 -51.43 47.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.558 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -47.35 -45.72 24.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.564 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 184' ' ' SER . . . . . . . . . . . . . 29.4 t -54.45 -37.84 65.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.559 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 55.2 mt -77.71 -21.66 51.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.542 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 21.6 m -73.28 -44.88 58.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.576 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 187' ' ' ILE . . . . . 0.642 HG23 ' N ' ' A' ' 188' ' ' TRP . 12.9 tt -73.61 -51.71 23.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.579 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 188' ' ' TRP . . . . . 0.642 ' N ' HG23 ' A' ' 187' ' ' ILE . 0.2 OUTLIER -30.65 -56.96 0.21 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.589 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 7.6 mmtt -175.74 128.28 0.24 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.509 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 190' ' ' LYS . . . . . . . . . . . . . 14.6 ptmt -109.89 89.58 3.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.554 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 191' ' ' MET . . . . . . . . . . . . . 91.4 mtp -128.61 136.59 50.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.537 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.738 0 CA-C-O 118.03 -1.428 . . . . 0.0 110.932 -179.993 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 130' ' ' CYS . . . . . 0.753 ' SG ' ' HG3' ' B' ' 131' ' ' GLU . 0.5 OUTLIER . . . . . 0 N--CA 1.491 1.602 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 131' ' ' GLU . . . . . 0.753 ' HG3' ' SG ' ' B' ' 130' ' ' CYS . 84.1 mt-10 -131.66 166.01 22.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.543 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 132' ' ' ALA . . . . . 0.594 ' O ' ' O ' ' B' ' 131' ' ' GLU . . . 51.83 120.86 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.532 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 133' ' ' LEU . . . . . 0.656 ' N ' HD12 ' B' ' 133' ' ' LEU . 8.8 mp -92.95 -5.46 50.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.59 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 134' ' ' LYS . . . . . . . . . . . . . 68.6 mttm 48.83 24.32 0.81 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.626 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 135' ' ' LYS . . . . . . . . . . . . . 61.1 tttm -161.67 75.12 0.47 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.526 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 136' ' ' ALA . . . . . . . . . . . . . . . -172.45 9.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.55 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 76.2 mt -84.47 -81.08 0.19 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.566 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 138' ' ' ARG . . . . . . . . . . . . . 10.5 ptp85 -73.63 -24.64 60.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.542 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 139' ' ' ARG . . . . . . . . . . . . . 75.7 ttt-85 -61.81 -43.12 99.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.581 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 140' ' ' HIS . . . . . 0.649 ' O ' ' N ' ' B' ' 143' ' ' LEU . 0.1 OUTLIER -79.56 -64.91 1.08 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.531 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 141' ' ' ARG . . . . . 0.508 ' N ' ' CG ' ' B' ' 140' ' ' HIS . 58.3 ttp180 -34.24 -32.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.511 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 142' ' ' PHE . . . . . 0.536 ' N ' ' O ' ' B' ' 140' ' ' HIS . 69.1 t80 -90.6 -33.06 16.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.559 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 143' ' ' LEU . . . . . 0.649 ' N ' ' O ' ' B' ' 140' ' ' HIS . 39.5 tp -54.78 -36.12 64.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.568 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 144' ' ' TRP . . . . . 0.501 ' O ' ' C ' ' B' ' 145' ' ' GLN . 45.3 t90 -84.36 -58.71 2.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.542 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 145' ' ' GLN . . . . . 0.586 ' O ' ' N ' ' B' ' 147' ' ' ARG . 57.0 tt0 -31.68 -68.85 0.08 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.614 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 146' ' ' ARG . . . . . . . . . . . . . 60.3 ttm-85 51.91 -81.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.57 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 147' ' ' ARG . . . . . 0.586 ' N ' ' O ' ' B' ' 145' ' ' GLN . 68.5 ttt180 -138.24 137.3 37.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.581 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 148' ' ' GLN . . . . . . . . . . . . . 26.2 mp0 -71.82 134.32 46.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.589 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 51.49 76.38 0.17 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.594 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 150' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.49 0 CA-C-O 118.0 -1.0 . . . . 0.0 110.565 -179.999 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.7 ptp . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.761 ' OD1' ' N ' ' A' ' 3' ' ' GLY . 54.7 p30 -46.04 -56.91 4.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.584 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.761 ' N ' ' OD1' ' A' ' 2' ' ' ASP . . . 84.15 -80.52 1.82 Allowed Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 38.1 m -129.98 -43.36 1.21 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.812 0.339 . . . . 0.0 110.46 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 169.72 -163.05 36.56 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.874 -0.891 . . . . 0.0 110.874 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.834 ' O ' ' HB3' ' A' ' 7' ' ' GLN . 1.1 mp0 -128.72 108.92 10.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.747 0.308 . . . . 0.0 110.493 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.94 HE21 ' HA ' ' A' ' 7' ' ' GLN . 1.9 tp-100 99.83 25.57 0.0 OUTLIER Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.463 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.853 ' CD ' ' N ' ' A' ' 7' ' ' GLN . 26.2 Cg_endo -65.39 141.39 67.8 Favored 'Trans proline' 0 C--N 1.305 -1.738 0 C-N-CA 122.774 2.316 . . . . 0.0 111.994 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 8.9 mtp180 -126.23 122.68 36.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.722 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -146.94 124.74 2.03 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.876 -0.89 . . . . 0.0 110.876 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -73.12 7.6 10.1 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -131.49 98.33 0.38 Allowed Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.85 ' O ' ' N ' ' A' ' 15' ' ' SER . 53.2 Cg_exo -47.62 -70.74 0.06 OUTLIER 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 122.768 2.312 . . . . 0.0 112.165 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.621 ' C ' ' O ' ' A' ' 13' ' ' PRO . 30.3 p -20.27 74.81 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.594 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.908 ' O ' HD12 ' A' ' 19' ' ' ILE . 1.1 p -128.83 -153.24 0.56 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.519 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.485 ' H ' ' HB2' ' A' ' 15' ' ' SER . 19.6 m -98.63 -12.75 20.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.568 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -84.19 -49.77 8.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.637 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.49 ' CD ' ' O ' ' A' ' 18' ' ' GLN . 3.5 tm0? -65.97 -22.8 66.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.508 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.908 HD12 ' O ' ' A' ' 15' ' ' SER . 90.6 mt -82.1 -55.85 7.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.433 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 51.0 ttp -52.59 -36.87 57.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.574 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 64.3 mmtt -66.85 -46.58 74.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.591 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.445 HG22 ' O ' ' A' ' 22' ' ' THR . 33.0 m -72.17 -7.24 48.06 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.512 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -80.08 -54.05 3.98 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.64 -8.81 59.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.736 0.303 . . . . 0.0 110.468 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.551 ' O ' ' C ' ' A' ' 26' ' ' LEU . 6.2 mt -86.93 -80.87 0.24 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.514 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.551 ' C ' ' O ' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -26.75 -65.93 0.07 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.596 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.419 ' C ' ' N ' ' A' ' 29' ' ' GLY . 5.6 tp -51.03 -57.93 7.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.542 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.506 ' HG2' HD21 ' A' ' 45' ' ' LEU . 8.1 tm0? -47.36 -18.12 0.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.617 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.539 ' O ' ' N ' ' A' ' 31' ' ' ILE . . . -88.56 -72.71 1.28 Allowed Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 42.7 t80 -42.23 -18.83 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.825 0.345 . . . . 0.0 110.568 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.539 ' N ' ' O ' ' A' ' 29' ' ' GLY . 88.8 mt -77.02 -69.16 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.557 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.517 ' O ' ' CG ' ' A' ' 32' ' ' GLN . 9.3 tt0 -79.0 30.04 0.21 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.57 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.414 ' H ' ' C ' ' A' ' 31' ' ' ILE . 66.4 t0 -112.94 -51.06 2.85 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.554 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 -91.17 -27.1 18.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.555 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.463 ' CB ' HD22 ' A' ' 122' ' ' LEU . . . -99.53 -12.63 19.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.576 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -62.28 -142.47 0.01 OUTLIER Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 94.0 mtt-85 55.27 26.85 9.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.802 0.334 . . . . 0.0 110.574 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 90.4 mtp -84.44 132.96 34.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.584 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -73.92 156.58 50.63 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 85.6 7.96 81.08 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 44.76 -139.32 0.37 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.814 0.34 . . . . 0.0 110.517 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.573 ' N ' ' HD3' ' A' ' 43' ' ' PRO . . . 47.98 51.92 11.52 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.543 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.573 ' HD3' ' N ' ' A' ' 42' ' ' ALA . 59.6 Cg_exo -46.52 155.1 0.8 Allowed 'Trans proline' 0 C--N 1.305 -1.752 0 C-N-CA 122.84 2.36 . . . . 0.0 112.132 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.425 ' OE1' ' N ' ' A' ' 44' ' ' GLU . 54.1 mp0 -95.64 -7.88 36.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.564 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.516 ' HG ' ' O ' ' A' ' 45' ' ' LEU . 50.5 tp -99.49 60.06 1.13 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.579 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.976 ' O ' HD23 ' A' ' 47' ' ' LEU . . . -63.18 148.52 47.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.494 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.976 HD23 ' O ' ' A' ' 46' ' ' ALA . 1.5 pp 109.99 143.04 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.549 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.515 ' C ' ' O ' ' A' ' 47' ' ' LEU . 3.6 t0 30.07 85.22 0.15 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.524 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -69.4 -25.72 30.0 Favored 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 122.717 2.278 . . . . 0.0 112.097 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.666 ' CG2' ' HD2' ' A' ' 51' ' ' PRO . 7.0 p -173.7 142.6 0.93 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.494 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.666 ' HD2' ' CG2' ' A' ' 50' ' ' VAL . 42.7 Cg_endo -71.14 -173.84 1.02 Allowed 'Trans proline' 0 C--N 1.305 -1.736 0 C-N-CA 122.819 2.346 . . . . 0.0 112.087 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -123.2 21.82 9.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.579 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.444 ' OD2' ' OG ' ' A' ' 55' ' ' SER . 52.8 p-10 -153.49 151.71 30.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.515 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -82.03 -4.0 55.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.594 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.444 ' OG ' ' OD2' ' A' ' 53' ' ' ASP . 78.2 p -56.29 -40.23 73.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.568 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 75.5 p -81.36 -33.72 32.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.486 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.0 mmmt -51.08 -54.44 24.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.543 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 29.9 ttpt -60.2 -47.37 86.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.594 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.637 HD23 ' O ' ' A' ' 59' ' ' LEU . 0.9 OUTLIER -62.31 -26.3 68.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.576 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.3 t -71.39 -35.4 71.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.546 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 75.5 mt-10 -63.76 -31.72 72.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.543 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 91.8 m -64.32 -37.78 88.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.496 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.465 HD12 ' N ' ' A' ' 63' ' ' LEU . 10.5 mp -75.33 -24.75 57.44 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.515 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -84.35 -36.58 22.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.483 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.437 ' O ' ' OE2' ' A' ' 69' ' ' GLU . 99.8 mtt180 -68.55 -44.44 74.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.593 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 18.2 tt -76.47 -35.08 25.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.588 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.425 ' O ' ' CB ' ' A' ' 71' ' ' ASP . . . -60.98 -45.37 96.74 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.445 ' O ' ' OD1' ' A' ' 68' ' ' ASP . 68.4 t0 -62.74 -34.38 77.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.796 0.331 . . . . 0.0 110.61 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.552 ' N ' ' OE1' ' A' ' 69' ' ' GLU . 0.3 OUTLIER -79.62 -58.38 3.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.613 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.46 HD23 ' HA ' ' A' ' 70' ' ' LEU . 5.2 mt -55.14 -43.13 73.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.61 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.425 ' CB ' ' O ' ' A' ' 67' ' ' GLY . 38.9 t70 -65.01 -8.77 17.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.55 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.9 t -96.36 6.99 47.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.531 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.46 ' OD1' HD23 ' A' ' 70' ' ' LEU . 8.6 m120 -92.91 111.42 23.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.638 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 94.4 mmm -68.27 -11.17 58.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.563 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -80.39 -67.28 0.78 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.583 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 50.0 tp -59.81 -40.32 87.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.583 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 49.5 tt0 -61.71 -37.96 86.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.644 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 74.9 ttt180 -68.44 -44.94 73.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.576 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.488 ' SD ' HG23 ' A' ' 182' ' ' THR . 74.2 mtp -54.55 -43.89 72.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.621 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.644 ' O ' HG12 ' A' ' 83' ' ' VAL . 86.3 mt -62.39 -23.67 32.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.559 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -86.13 -18.55 32.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.557 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -86.53 -15.42 40.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.576 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.87 HG13 ' O ' ' A' ' 83' ' ' VAL . 8.0 p -89.4 82.71 2.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.527 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.424 ' O ' ' O ' ' A' ' 83' ' ' VAL . 54.3 p-10 -40.67 162.41 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.503 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 48.5 p -119.6 119.89 35.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.644 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -148.98 -0.01 0.52 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.439 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.703 ' O ' HG12 ' A' ' 91' ' ' VAL . 41.5 t -175.81 88.32 0.29 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.501 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.489 ' O ' ' CB ' ' A' ' 92' ' ' PHE . 37.5 Cg_endo -69.13 -15.14 39.19 Favored 'Trans proline' 0 C--N 1.305 -1.735 0 C-N-CA 122.721 2.28 . . . . 0.0 112.128 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 16.4 ptt-85 -86.59 -33.88 20.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.524 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -79.68 -57.28 3.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.47 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.703 HG12 ' O ' ' A' ' 87' ' ' SER . 9.1 p -57.76 -51.01 75.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.523 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.65 ' N ' HG13 ' A' ' 91' ' ' VAL . 85.6 t80 -46.29 -51.98 13.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.463 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -68.02 -30.54 69.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.439 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 16.0 tpp180 -71.49 -57.96 3.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.553 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.624 HG23 ' N ' ' A' ' 96' ' ' ALA . 27.7 m -59.37 -48.1 88.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.491 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.624 ' N ' HG23 ' A' ' 95' ' ' VAL . . . -55.08 -27.74 47.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.487 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -81.79 -39.02 24.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.53 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 99' ' ' MET . 99.4 m-20 -63.05 -38.64 91.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.596 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . 0.409 ' C ' ' O ' ' A' ' 98' ' ' ASP . 65.2 mtt -38.42 -68.86 0.14 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.599 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.612 ' CD2' ' O ' ' A' ' 100' ' ' PHE . 19.7 p90 -111.31 57.59 0.63 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.603 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.1 t -74.65 -26.79 60.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.641 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.536 ' O ' ' C ' ' A' ' 103' ' ' GLY . 55.3 p-10 -155.64 -18.31 0.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.572 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.536 ' C ' ' O ' ' A' ' 102' ' ' ASP . . . -26.38 -80.7 0.01 OUTLIER Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . 0.608 ' O ' ' CG ' ' A' ' 105' ' ' PHE . 9.9 m-20 174.52 34.3 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.755 0.312 . . . . 0.0 110.592 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.608 ' CG ' ' O ' ' A' ' 104' ' ' ASN . 30.6 p90 42.66 29.13 0.15 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.543 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.52 ' O ' ' HB2' ' A' ' 107' ' ' TRP . 26.7 p30 -52.1 -110.54 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.557 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' TRP . . . . . 0.544 ' HE1' HD12 ' A' ' 148' ' ' LEU . 6.5 t90 174.65 -26.13 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.512 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.591 ' O ' HG12 ' A' ' 111' ' ' VAL . . . -50.07 -42.21 39.33 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.55 ' H ' ' HG3' ' A' ' 109' ' ' ARG . 0.0 OUTLIER -48.12 -26.1 1.73 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.74 0.305 . . . . 0.0 110.533 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.535 HG21 ' NE1' ' A' ' 107' ' ' TRP . 34.7 t -52.49 -57.95 3.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.55 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.591 HG12 ' O ' ' A' ' 108' ' ' GLY . 4.7 p -45.23 -46.75 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.596 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.58 ' N ' HG13 ' A' ' 111' ' ' VAL . . . -58.17 -34.89 70.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.519 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.661 ' O ' HD23 ' A' ' 113' ' ' LEU . 1.9 tt -57.0 -46.95 81.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.522 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -57.1 -44.07 82.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.619 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 92.0 t80 -67.86 -43.79 78.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.503 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.458 ' CE2' HG21 ' A' ' 95' ' ' VAL . 93.4 t80 -58.99 -41.79 88.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.541 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -70.95 -32.68 69.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.48 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 5.2 t -48.56 -44.43 36.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.524 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.811 ' O ' ' CB ' ' A' ' 123' ' ' LYS . 55.1 mmtt -59.68 -43.66 93.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.524 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 52.6 mt -68.15 -31.36 70.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.518 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.44 ' CG2' HG21 ' A' ' 136' ' ' ILE . 75.6 t -77.13 -53.36 14.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.511 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.463 HD22 ' CB ' ' A' ' 35' ' ' ALA . 70.0 mt -72.84 -41.19 65.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.576 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.811 ' CB ' ' O ' ' A' ' 119' ' ' LYS . 43.1 tptt -57.98 -41.55 83.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.551 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.453 ' O ' ' OG1' ' A' ' 127' ' ' THR . . . -75.05 -22.0 58.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.595 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 6.3 tt -63.0 -32.42 73.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.564 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 34.3 t -83.16 -35.64 25.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.638 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.749 ' O ' ' HB2' ' A' ' 128' ' ' LYS . 54.8 p -53.67 -18.8 3.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.588 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.749 ' HB2' ' O ' ' A' ' 127' ' ' THR . 61.3 mttp 87.39 44.8 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.574 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 48.5 t -147.91 89.54 5.28 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.534 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . 0.415 ' HA ' HD12 ' A' ' 133' ' ' ILE . 43.0 Cg_endo -71.38 -15.02 31.3 Favored 'Trans proline' 0 C--N 1.305 -1.734 0 C-N-CA 122.69 2.26 . . . . 0.0 112.028 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . 0.795 ' O ' HG23 ' A' ' 135' ' ' THR . 80.9 tt0 -64.46 -39.38 93.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.502 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.519 ' HA ' ' OG1' ' A' ' 135' ' ' THR . 2.2 tp -62.94 -32.27 73.54 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.527 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.415 HD12 ' HA ' ' A' ' 130' ' ' PRO . 97.5 mt -58.88 -49.46 82.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.472 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . 0.417 HH21 ' HB3' ' A' ' 46' ' ' ALA . 88.8 mtt180 -69.34 -34.81 75.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.558 179.815 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . 0.795 HG23 ' O ' ' A' ' 131' ' ' GLU . 67.0 p -67.06 -32.05 72.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.451 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.44 HG21 ' CG2' ' A' ' 121' ' ' VAL . 48.0 mt -69.57 -59.03 3.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.53 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 85.2 mtp -46.38 -25.39 0.64 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.549 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -68.74 -40.48 85.29 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' TRP . . . . . 0.559 ' CD1' ' N ' ' A' ' 139' ' ' TRP . 9.1 m0 -66.35 -24.43 66.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.758 0.313 . . . . 0.0 110.533 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' THR . . . . . 0.469 ' OG1' ' N ' ' A' ' 141' ' ' LEU . 22.9 p -75.49 -65.89 0.84 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.593 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.469 ' N ' ' OG1' ' A' ' 140' ' ' THR . 54.5 mt -51.81 -33.63 36.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.514 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -65.65 -51.1 62.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.589 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . 0.447 ' O ' ' HB2' ' A' ' 147' ' ' ARG . 38.6 t80 -66.8 -38.94 87.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.505 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.582 HD12 ' HB2' ' A' ' 148' ' ' LEU . 2.2 tp -71.03 -35.53 72.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.577 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 58.6 ttp180 -83.02 -10.64 58.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.583 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -112.06 -4.59 14.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.528 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . 1.152 ' O ' ' N ' ' A' ' 149' ' ' LEU . 23.1 mmt180 -142.16 -110.81 0.13 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.556 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . 0.812 ' H ' HD22 ' A' ' 148' ' ' LEU . 1.0 OUTLIER -15.5 -27.79 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.536 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . 1.152 ' N ' ' O ' ' A' ' 147' ' ' ARG . 52.6 tp -49.04 -56.4 9.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.545 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -63.8 -50.66 59.69 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 151' ' ' TRP . . . . . . . . . . . . . 98.8 m95 -66.21 -55.91 13.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.805 0.336 . . . . 0.0 110.579 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 152' ' ' ILE . . . . . 0.695 ' N ' ' O ' ' A' ' 148' ' ' LEU . 10.2 tt -51.33 -34.24 14.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.605 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -67.5 -31.1 70.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.59 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . 0.458 ' O ' ' OD1' ' A' ' 154' ' ' ASP . 53.5 t0 -89.28 -4.6 58.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.539 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -97.48 0.82 48.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.544 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 83.71 24.78 48.62 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 89.73 -160.35 28.78 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 158' ' ' TRP . . . . . 0.411 ' NE1' HD11 ' A' ' 152' ' ' ILE . 49.2 m95 -73.91 -5.69 42.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.839 0.352 . . . . 0.0 110.563 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -60.81 -42.47 97.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.556 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -54.46 -32.18 52.32 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.871 -0.892 . . . . 0.0 110.871 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . 0.575 HD23 ' O ' ' A' ' 161' ' ' LEU . 1.9 tt -62.95 -54.04 44.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.783 0.325 . . . . 0.0 110.56 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 62.2 tp -66.98 -31.2 71.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.562 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 5.6 t -66.62 -26.47 67.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.597 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 93.5 t80 -76.32 -42.83 43.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.547 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -71.69 47.93 0.14 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.573 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -130.71 39.0 1.85 Allowed Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 167' ' ' THR . . . . . 1.081 ' OG1' ' HD2' ' A' ' 168' ' ' PRO . 0.6 OUTLIER -108.45 -178.86 0.61 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 120.855 0.36 . . . . 0.0 110.602 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 168' ' ' PRO . . . . . 1.081 ' HD2' ' OG1' ' A' ' 167' ' ' THR . 56.9 Cg_endo -74.75 -146.35 0.03 OUTLIER 'Trans proline' 0 C--N 1.305 -1.718 0 C-N-CA 122.846 2.364 . . . . 0.0 112.102 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 169' ' ' THR . . . . . 0.597 ' C ' ' O ' ' A' ' 168' ' ' PRO . 29.4 p -22.12 100.49 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.567 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 170' ' ' TRP . . . . . 0.687 ' O ' HG22 ' A' ' 173' ' ' VAL . 29.9 p90 -64.32 -18.63 64.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.628 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 171' ' ' GLN . . . . . 0.529 ' NE2' ' OG1' ' A' ' 172' ' ' THR . 5.3 pp0? -47.14 -14.15 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.549 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 172' ' ' THR . . . . . 0.529 ' OG1' ' NE2' ' A' ' 171' ' ' GLN . 5.0 m -87.02 -29.52 21.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.508 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 173' ' ' VAL . . . . . 0.687 HG22 ' O ' ' A' ' 170' ' ' TRP . 2.0 m -72.07 -45.66 62.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.572 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 174' ' ' THR . . . . . 0.567 ' N ' ' CG2' ' A' ' 173' ' ' VAL . 25.2 m -64.63 -24.86 67.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.53 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 175' ' ' ILE . . . . . 0.553 ' O ' HG22 ' A' ' 175' ' ' ILE . 90.5 mt -85.78 -7.53 10.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.528 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 176' ' ' PHE . . . . . 0.482 ' O ' HG12 ' A' ' 180' ' ' VAL . 63.0 t80 -94.67 -60.05 1.79 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.554 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 3.1 m -62.14 -16.76 16.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.59 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 178' ' ' ALA . . . . . 0.623 ' O ' ' OG1' ' A' ' 182' ' ' THR . . . -95.45 -45.97 6.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.556 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -62.28 -26.2 67.54 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 180' ' ' VAL . . . . . 0.698 HG13 ' N ' ' A' ' 181' ' ' LEU . 13.7 p -86.21 -51.78 12.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.81 0.338 . . . . 0.0 110.496 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . 0.698 ' N ' HG13 ' A' ' 180' ' ' VAL . 42.1 tp -69.27 -47.96 63.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.599 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 182' ' ' THR . . . . . 0.623 ' OG1' ' O ' ' A' ' 178' ' ' ALA . 25.6 m -50.57 -51.33 49.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.562 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -47.41 -45.65 25.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.594 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 184' ' ' SER . . . . . . . . . . . . . 29.7 t -54.43 -37.91 65.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.542 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 59.8 mt -77.62 -21.77 51.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.539 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 20.7 m -73.23 -44.86 58.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.563 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 187' ' ' ILE . . . . . 0.64 HG23 ' N ' ' A' ' 188' ' ' TRP . 12.6 tt -73.71 -51.56 24.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.561 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 188' ' ' TRP . . . . . 0.64 ' N ' HG23 ' A' ' 187' ' ' ILE . 0.2 OUTLIER -30.74 -56.98 0.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.552 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 8.0 mmtt -175.71 128.28 0.24 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.617 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 190' ' ' LYS . . . . . . . . . . . . . 14.2 ptmt -109.95 89.54 3.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.557 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 191' ' ' MET . . . . . . . . . . . . . 92.3 mtp -128.54 136.59 50.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.583 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.717 0 CA-C-O 117.981 -1.455 . . . . 0.0 110.93 -179.98 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 130' ' ' CYS . . . . . 0.511 ' O ' ' SG ' ' B' ' 130' ' ' CYS . 2.1 t . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 131' ' ' GLU . . . . . 0.714 ' O ' ' O ' ' B' ' 132' ' ' ALA . 84.7 tt0 -103.69 149.59 24.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.572 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 132' ' ' ALA . . . . . 0.714 ' O ' ' O ' ' B' ' 131' ' ' GLU . . . 44.8 164.72 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.629 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 51.5 mt -92.45 104.65 16.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.53 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 134' ' ' LYS . . . . . . . . . . . . . 36.7 ttpt -59.96 -42.81 94.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.61 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 135' ' ' LYS . . . . . 0.587 ' O ' ' HB3' ' B' ' 136' ' ' ALA . 99.8 mttt -92.09 154.84 18.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.558 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 136' ' ' ALA . . . . . 0.587 ' HB3' ' O ' ' B' ' 135' ' ' LYS . . . 73.57 45.32 0.25 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.578 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 137' ' ' LEU . . . . . 0.402 ' C ' ' NH2' ' B' ' 141' ' ' ARG . 66.0 mt -81.87 -162.55 0.55 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.543 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 138' ' ' ARG . . . . . 0.494 ' N ' ' NH2' ' B' ' 141' ' ' ARG . 17.6 ptm180 -68.28 -5.85 20.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.607 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 139' ' ' ARG . . . . . . . . . . . . . 90.7 mtm180 -62.84 -44.78 95.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.557 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 140' ' ' HIS . . . . . 0.761 ' O ' ' N ' ' B' ' 143' ' ' LEU . 71.3 m80 -79.05 -66.66 0.84 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.515 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 141' ' ' ARG . . . . . 0.494 ' NH2' ' N ' ' B' ' 138' ' ' ARG . 94.0 mtm-85 -32.44 -31.32 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.446 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 142' ' ' PHE . . . . . 0.603 ' N ' ' O ' ' B' ' 140' ' ' HIS . 22.8 m-85 -93.64 -28.45 15.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.419 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 143' ' ' LEU . . . . . 0.761 ' N ' ' O ' ' B' ' 140' ' ' HIS . 35.0 tp -59.92 -33.24 71.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.565 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 144' ' ' TRP . . . . . 0.475 ' O ' ' C ' ' B' ' 145' ' ' GLN . 65.2 t-105 -87.22 -54.95 4.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.591 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 145' ' ' GLN . . . . . 0.54 ' HG2' ' H ' ' B' ' 147' ' ' ARG . 46.9 tt0 -34.29 -70.94 0.07 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.514 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 146' ' ' ARG . . . . . 0.486 ' NE ' ' O ' ' B' ' 143' ' ' LEU . 99.8 mtt180 46.16 21.69 0.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.532 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 147' ' ' ARG . . . . . 0.54 ' H ' ' HG2' ' B' ' 145' ' ' GLN . 29.3 mmt180 46.93 22.05 0.18 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.557 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 148' ' ' GLN . . . . . . . . . . . . . 59.2 tp60 -77.91 137.07 38.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.522 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 44.1 ttm180 -138.71 138.95 38.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.567 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 150' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.415 0 CA-C-O 117.984 -1.007 . . . . 0.0 110.549 179.99 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.5 ptt? . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.674 ' O ' ' HG3' ' A' ' 8' ' ' PRO . 18.1 p-10 -53.09 -59.82 4.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.566 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.582 ' N ' ' OD1' ' A' ' 2' ' ' ASP . . . 93.64 -47.19 2.31 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 14.6 m -163.45 -33.38 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.715 0.293 . . . . 0.0 110.754 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -164.58 -117.34 0.4 Allowed Glycine 0 CA--C 1.524 0.646 0 N-CA-C 111.123 -0.791 . . . . 0.0 111.123 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.793 ' O ' ' CB ' ' A' ' 7' ' ' GLN . 7.5 tp10 -137.49 101.76 4.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.813 0.34 . . . . 0.0 110.709 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.807 ' H ' ' HD3' ' A' ' 8' ' ' PRO . 7.8 tp-100 112.61 43.36 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.683 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.807 ' HD3' ' H ' ' A' ' 7' ' ' GLN . 55.5 Cg_endo -74.17 74.6 3.52 Favored 'Trans proline' 0 C--N 1.305 -1.758 0 C-N-CA 122.86 2.373 . . . . 0.0 111.999 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.633 ' O ' ' O ' ' A' ' 8' ' ' PRO . 28.6 mtp180 -28.02 153.46 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.731 -179.854 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.61 ' O ' ' C ' ' A' ' 11' ' ' GLY . . . -143.95 55.42 0.56 Allowed Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.61 ' C ' ' O ' ' A' ' 10' ' ' GLY . . . 18.08 83.91 0.01 OUTLIER Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.526 ' N ' ' HD3' ' A' ' 13' ' ' PRO . . . 82.91 53.47 3.51 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.958 ' O ' ' N ' ' A' ' 15' ' ' SER . 53.9 Cg_exo -45.61 -80.98 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.727 0 C-N-CA 122.766 2.311 . . . . 0.0 112.124 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.646 ' C ' ' O ' ' A' ' 13' ' ' PRO . 25.0 p -13.8 65.74 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.566 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.958 ' N ' ' O ' ' A' ' 13' ' ' PRO . 53.1 p -42.45 86.08 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.563 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.623 ' N ' ' O ' ' A' ' 14' ' ' THR . 30.9 m -95.35 -18.51 20.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.602 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -90.94 -50.24 5.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.629 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.5 tm0? -55.12 -34.07 63.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.705 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.828 HD12 ' O ' ' A' ' 15' ' ' SER . 63.6 mt -73.76 -51.49 24.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.798 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 47.7 ttp -57.58 -35.49 70.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.739 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.469 ' O ' HD23 ' A' ' 25' ' ' LEU . 64.7 tttm -69.04 -42.05 76.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.718 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 30.1 m -74.22 -14.63 60.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.68 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -73.97 -54.08 6.67 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.59 -11.26 59.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.778 0.323 . . . . 0.0 110.635 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.528 ' O ' ' C ' ' A' ' 26' ' ' LEU . 2.2 mm? -86.1 -78.03 0.29 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.598 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.528 ' C ' ' O ' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -29.5 -64.34 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.567 -179.948 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.503 ' N ' HD12 ' A' ' 27' ' ' LEU . 11.0 mp -52.6 -56.37 15.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.61 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.646 HE22 ' HB3' ' A' ' 45' ' ' LEU . 34.8 tp60 -48.81 -18.04 0.24 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.66 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.527 ' O ' ' N ' ' A' ' 31' ' ' ILE . . . -88.59 -72.27 1.27 Allowed Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 42.9 t80 -42.59 -18.85 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.804 0.335 . . . . 0.0 110.604 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.527 ' N ' ' O ' ' A' ' 29' ' ' GLY . 90.3 mt -77.05 -68.83 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.611 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.568 ' CD ' HE21 ' A' ' 28' ' ' GLN . 15.7 pt20 -79.05 29.76 0.21 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.593 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.411 ' H ' ' C ' ' A' ' 31' ' ' ILE . 65.8 t0 -112.78 -50.98 2.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.582 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 15.7 ptm180 -91.32 -26.95 18.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.577 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.469 ' CB ' HD22 ' A' ' 122' ' ' LEU . . . -99.05 -13.15 19.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.533 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -100.62 118.74 6.28 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 80.3 mtp85 -91.66 164.58 13.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.819 0.342 . . . . 0.0 110.589 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 65.4 ttp -61.41 -40.73 95.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.565 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -81.36 -170.54 43.89 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.891 -0.883 . . . . 0.0 110.891 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 82.64 165.42 36.92 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 73.2 tt0 -143.81 160.81 40.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.768 0.318 . . . . 0.0 110.57 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 62.51 73.44 0.53 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.465 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -73.37 134.76 21.31 Favored 'Trans proline' 0 C--N 1.306 -1.697 0 C-N-CA 122.837 2.358 . . . . 0.0 112.12 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.689 ' OE1' ' N ' ' A' ' 44' ' ' GLU . 54.9 mp0 -70.12 -20.42 63.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.593 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.985 HD22 ' H ' ' A' ' 45' ' ' LEU . 0.4 OUTLIER -86.56 64.51 8.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.603 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -78.34 137.39 38.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.555 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.486 ' CG ' ' H ' ' A' ' 48' ' ' ASP . 4.1 tp -174.69 -138.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.539 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.769 ' HB3' ' HD2' ' A' ' 49' ' ' PRO . 7.9 m-20 -90.7 174.52 4.48 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.539 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.769 ' HD2' ' HB3' ' A' ' 48' ' ' ASP . 55.8 Cg_endo -74.18 118.5 5.41 Favored 'Trans proline' 0 C--N 1.304 -1.767 0 C-N-CA 122.832 2.354 . . . . 0.0 112.102 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.741 ' HB ' ' HD2' ' A' ' 51' ' ' PRO . 2.8 m -5.38 170.96 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.555 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.741 ' HD2' ' HB ' ' A' ' 50' ' ' VAL . 56.0 Cg_endo -74.06 121.89 7.24 Favored 'Trans proline' 0 C--N 1.307 -1.655 0 C-N-CA 122.823 2.349 . . . . 0.0 112.21 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 57.7 tp60 -64.6 -52.58 56.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.589 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 49.0 t0 -71.35 150.58 44.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.615 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -83.44 -3.32 57.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.616 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 77.8 p -56.76 -39.94 74.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.563 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.413 ' OG1' ' CB ' ' A' ' 51' ' ' PRO . 45.9 p -81.05 -33.8 33.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.616 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 4.5 tmtt? -50.75 -54.61 21.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.631 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 30.8 ttpt -60.16 -47.51 85.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.563 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.64 HD23 ' O ' ' A' ' 59' ' ' LEU . 0.9 OUTLIER -62.15 -26.33 68.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.553 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.3 t -71.33 -35.46 71.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.554 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -63.67 -31.88 73.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.515 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.426 ' O ' HG22 ' A' ' 66' ' ' ILE . 99.4 m -64.24 -37.81 88.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.601 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.471 HD12 ' N ' ' A' ' 63' ' ' LEU . 9.7 mp -75.19 -24.81 57.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.602 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -84.19 -36.7 22.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.56 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.438 ' O ' ' OE2' ' A' ' 69' ' ' GLU . 99.7 mtt180 -68.49 -44.49 74.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.54 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.426 HG22 ' O ' ' A' ' 62' ' ' CYS . 20.5 tt -76.44 -35.01 25.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.636 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.425 ' O ' ' CB ' ' A' ' 71' ' ' ASP . . . -61.09 -45.43 96.59 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -62.73 -34.29 76.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.79 0.329 . . . . 0.0 110.591 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.527 ' N ' ' OE1' ' A' ' 69' ' ' GLU . 0.3 OUTLIER -79.64 -58.46 3.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.574 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.18 -43.07 74.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.557 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.529 ' OD1' ' NE2' ' A' ' 77' ' ' GLN . 38.8 t70 -65.09 -8.67 17.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.633 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.9 t -96.44 7.07 47.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.615 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -93.0 111.47 23.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.576 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 78.8 mtm -68.31 -11.22 59.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.524 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -80.35 -67.26 0.78 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.607 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 7.5 tp -59.91 -40.24 88.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.52 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.529 ' NE2' ' OD1' ' A' ' 71' ' ' ASP . 15.7 mm100 -61.83 -37.9 86.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.532 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 75.2 ttt180 -68.52 -44.94 73.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.561 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.487 ' SD ' HG23 ' A' ' 182' ' ' THR . 73.9 mtp -54.48 -43.95 72.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.594 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.645 ' O ' HG12 ' A' ' 83' ' ' VAL . 81.4 mt -62.36 -23.78 33.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.538 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -85.88 -18.84 31.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.596 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -86.43 -15.41 40.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.59 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.876 HG13 ' O ' ' A' ' 83' ' ' VAL . 8.0 p -89.38 82.18 2.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.571 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.437 ' O ' ' O ' ' A' ' 83' ' ' VAL . 99.1 m-20 -40.05 162.51 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.561 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 77.5 p -119.72 119.31 33.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.603 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 60.9 m-20 -148.2 0.02 0.6 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.531 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.695 ' O ' HG12 ' A' ' 91' ' ' VAL . 45.4 t -176.11 88.92 0.28 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.464 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.48 ' O ' ' CB ' ' A' ' 92' ' ' PHE . 38.1 Cg_endo -69.62 -14.42 36.51 Favored 'Trans proline' 0 C--N 1.305 -1.762 0 C-N-CA 122.82 2.347 . . . . 0.0 112.13 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 33.8 ptt-85 -86.63 -34.83 19.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.564 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -79.15 -57.8 3.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.554 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.695 HG12 ' O ' ' A' ' 87' ' ' SER . 10.0 p -56.72 -51.35 67.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.556 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.661 ' N ' HG13 ' A' ' 91' ' ' VAL . 84.7 t80 -46.3 -52.04 13.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.543 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -68.14 -30.19 69.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.502 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.668 ' NE ' ' HE1' ' A' ' 188' ' ' TRP . 23.9 ttp180 -71.73 -57.65 4.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.471 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.622 HG23 ' N ' ' A' ' 96' ' ' ALA . 27.8 m -59.76 -48.09 88.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.554 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.622 ' N ' HG23 ' A' ' 95' ' ' VAL . . . -55.01 -27.75 46.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.569 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -81.82 -38.87 24.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.501 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 99' ' ' MET . 99.7 m-20 -63.19 -38.62 91.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.574 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . 0.542 ' HB2' HH21 ' A' ' 109' ' ' ARG . 63.6 mtt -38.44 -68.89 0.14 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.559 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.605 ' CD2' ' O ' ' A' ' 100' ' ' PHE . 17.9 p90 -111.22 57.51 0.62 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.632 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.1 t -74.59 -26.85 60.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.595 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.53 ' O ' ' C ' ' A' ' 103' ' ' GLY . 55.1 p-10 -155.63 -18.34 0.11 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.569 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.53 ' C ' ' O ' ' A' ' 102' ' ' ASP . . . -26.4 -80.6 0.01 OUTLIER Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . 0.606 ' O ' ' CG ' ' A' ' 105' ' ' PHE . 8.8 m-20 174.47 34.39 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.766 0.317 . . . . 0.0 110.579 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.606 ' CG ' ' O ' ' A' ' 104' ' ' ASN . 29.8 p90 42.69 29.0 0.14 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.5 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.518 ' O ' ' HB2' ' A' ' 107' ' ' TRP . 28.0 p30 -52.09 -110.52 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.593 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' TRP . . . . . 0.545 ' NE1' HG21 ' A' ' 110' ' ' VAL . 6.7 t90 174.7 -26.18 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.474 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.588 ' O ' HG12 ' A' ' 111' ' ' VAL . . . -50.19 -41.99 39.92 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.542 HH21 ' HB2' ' A' ' 99' ' ' MET . 0.0 OUTLIER -48.13 -26.22 1.78 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.772 0.32 . . . . 0.0 110.575 179.945 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.545 HG21 ' NE1' ' A' ' 107' ' ' TRP . 36.1 t -52.5 -57.85 3.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.544 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.588 HG12 ' O ' ' A' ' 108' ' ' GLY . 4.6 p -45.32 -46.72 3.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.511 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.579 ' N ' HG13 ' A' ' 111' ' ' VAL . . . -58.0 -35.34 71.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.563 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.67 ' O ' HD23 ' A' ' 113' ' ' LEU . 2.0 tt -56.65 -46.84 80.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.564 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.446 ' CZ ' ' CG1' ' A' ' 110' ' ' VAL . 9.8 m-85 -57.09 -44.18 82.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.549 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 93.3 t80 -67.99 -43.75 78.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.538 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.451 ' CE2' HG21 ' A' ' 95' ' ' VAL . 93.1 t80 -58.8 -42.03 88.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.573 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.513 ' O ' HG23 ' A' ' 121' ' ' VAL . . . -70.84 -32.66 69.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.504 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 4.7 t -48.48 -44.62 35.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.557 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.82 ' O ' ' CB ' ' A' ' 123' ' ' LYS . 30.4 mmtm -59.53 -43.72 93.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.493 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 52.8 mt -67.98 -31.62 71.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.57 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.736 HG13 HG23 ' A' ' 133' ' ' ILE . 49.2 t -76.77 -53.54 14.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.603 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.469 HD22 ' CB ' ' A' ' 35' ' ' ALA . 71.1 mt -72.91 -40.89 65.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.574 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.82 ' CB ' ' O ' ' A' ' 119' ' ' LYS . 88.7 tttt -58.07 -41.12 82.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.557 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -75.61 -22.12 57.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.594 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 54.2 tp -62.83 -32.41 73.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.523 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . 0.477 ' SG ' ' N ' ' A' ' 127' ' ' THR . 13.1 p -83.14 -35.45 25.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.594 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.748 ' O ' ' HB2' ' A' ' 128' ' ' LYS . 55.8 m -53.57 -18.76 3.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.516 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.748 ' HB2' ' O ' ' A' ' 127' ' ' THR . 42.2 mtmt 87.63 43.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.6 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 129' ' ' VAL . 17.6 m -147.28 90.97 5.18 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.61 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -72.66 -14.46 27.27 Favored 'Trans proline' 0 C--N 1.305 -1.717 0 C-N-CA 122.788 2.325 . . . . 0.0 112.004 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -65.06 -39.87 93.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.496 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 2.1 tp -62.23 -32.52 73.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.577 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.736 HG23 HG13 ' A' ' 121' ' ' VAL . 22.1 mm -58.8 -49.32 83.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.493 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 63.3 ttm-85 -69.57 -34.65 74.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.427 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 7.8 m -67.26 -31.77 72.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.52 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.419 HG21 ' CG2' ' A' ' 121' ' ' VAL . 45.5 mt -69.9 -58.67 4.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.524 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 65.2 ttp -46.64 -25.41 0.71 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.484 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -68.75 -40.47 85.25 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' TRP . . . . . 0.507 ' CD1' ' N ' ' A' ' 139' ' ' TRP . 12.6 m0 -66.3 -24.42 66.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.767 0.317 . . . . 0.0 110.564 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' THR . . . . . 0.468 ' OG1' ' N ' ' A' ' 141' ' ' LEU . 24.1 p -75.52 -65.81 0.85 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.574 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.468 ' N ' ' OG1' ' A' ' 140' ' ' THR . 57.3 mt -51.8 -33.58 36.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.594 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -65.69 -51.13 61.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.564 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . 0.438 ' O ' ' HB2' ' A' ' 147' ' ' ARG . 5.9 t80 -66.8 -38.89 87.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.586 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.56 HD12 ' HB2' ' A' ' 148' ' ' LEU . 1.8 tp -71.04 -35.55 72.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.557 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 59.2 ttp180 -83.06 -10.67 58.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.593 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -111.96 -4.7 14.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.577 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . 1.152 ' O ' ' N ' ' A' ' 149' ' ' LEU . 11.4 mtp180 -142.02 -110.84 0.13 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.588 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . 0.815 ' H ' HD22 ' A' ' 148' ' ' LEU . 1.0 OUTLIER -15.45 -27.72 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.504 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . 1.152 ' N ' ' O ' ' A' ' 147' ' ' ARG . 33.8 tp -49.13 -56.33 9.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.521 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -63.9 -50.68 59.32 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 151' ' ' TRP . . . . . . . . . . . . . 99.1 m95 -66.16 -55.94 13.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.859 0.361 . . . . 0.0 110.56 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 152' ' ' ILE . . . . . 0.696 ' N ' ' O ' ' A' ' 148' ' ' LEU . 10.5 tt -51.32 -34.36 14.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.546 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 12.3 tm0? -67.42 -31.18 71.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.619 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -89.11 -4.64 58.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.58 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -97.48 0.9 48.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.551 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 83.69 24.72 48.94 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 89.77 -160.34 28.72 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 158' ' ' TRP . . . . . 0.483 ' CD1' HD11 ' A' ' 152' ' ' ILE . 33.4 m95 -73.93 -5.69 42.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.767 0.318 . . . . 0.0 110.56 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -60.84 -42.44 97.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.606 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -54.36 -32.32 51.74 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.876 -0.89 . . . . 0.0 110.876 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . 0.586 HD23 ' O ' ' A' ' 161' ' ' LEU . 2.1 tt -62.87 -54.03 44.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.824 0.345 . . . . 0.0 110.579 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 49.1 tp -67.0 -31.14 71.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.581 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 5.2 t -66.63 -26.69 67.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.517 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 94.3 t80 -76.07 -42.86 46.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.631 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -71.62 47.89 0.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.617 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -130.65 38.9 1.87 Allowed Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 167' ' ' THR . . . . . 1.103 ' OG1' ' HD2' ' A' ' 168' ' ' PRO . 0.6 OUTLIER -108.53 -178.38 0.56 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 120.912 0.387 . . . . 0.0 110.569 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 168' ' ' PRO . . . . . 1.103 ' HD2' ' OG1' ' A' ' 167' ' ' THR . 57.2 Cg_endo -75.34 -147.01 0.03 OUTLIER 'Trans proline' 0 C--N 1.305 -1.759 0 C-N-CA 122.827 2.352 . . . . 0.0 112.082 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 169' ' ' THR . . . . . 0.602 ' C ' ' O ' ' A' ' 168' ' ' PRO . 20.1 p -21.35 100.23 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.552 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 170' ' ' TRP . . . . . 0.68 ' O ' HG22 ' A' ' 173' ' ' VAL . 34.0 p90 -64.18 -18.56 64.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.572 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 171' ' ' GLN . . . . . 0.551 ' NE2' ' OG1' ' A' ' 172' ' ' THR . 5.5 pp0? -47.21 -14.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.556 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 172' ' ' THR . . . . . 0.551 ' OG1' ' NE2' ' A' ' 171' ' ' GLN . 5.4 m -87.11 -29.56 21.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.5 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 173' ' ' VAL . . . . . 0.68 HG22 ' O ' ' A' ' 170' ' ' TRP . 1.9 m -72.07 -45.65 62.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.561 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 174' ' ' THR . . . . . 0.566 ' N ' ' CG2' ' A' ' 173' ' ' VAL . 24.9 m -64.56 -25.02 67.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.546 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 175' ' ' ILE . . . . . 0.519 HG22 ' O ' ' A' ' 172' ' ' THR . 1.7 tt -85.66 -7.59 10.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.575 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 176' ' ' PHE . . . . . 0.482 ' O ' HG12 ' A' ' 180' ' ' VAL . 63.8 t80 -94.61 -60.01 1.8 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.611 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 3.1 m -62.13 -16.75 16.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.536 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 178' ' ' ALA . . . . . 0.62 ' O ' ' OG1' ' A' ' 182' ' ' THR . . . -95.55 -45.91 6.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.578 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -62.27 -26.22 67.54 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 180' ' ' VAL . . . . . 0.7 HG13 ' N ' ' A' ' 181' ' ' LEU . 13.6 p -86.25 -51.72 12.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.829 0.347 . . . . 0.0 110.577 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . 0.7 ' N ' HG13 ' A' ' 180' ' ' VAL . 42.0 tp -69.31 -47.9 63.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.666 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 182' ' ' THR . . . . . 0.62 ' OG1' ' O ' ' A' ' 178' ' ' ALA . 26.1 m -50.54 -51.41 48.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.584 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -47.3 -45.71 24.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.602 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 184' ' ' SER . . . . . . . . . . . . . 27.4 t -54.5 -37.82 65.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.592 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 62.4 mt -77.65 -21.69 51.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.587 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 20.4 m -73.28 -44.89 58.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.53 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 187' ' ' ILE . . . . . 0.637 HG23 ' N ' ' A' ' 188' ' ' TRP . 12.4 tt -73.72 -51.57 24.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.57 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 188' ' ' TRP . . . . . 0.668 ' HE1' ' NE ' ' A' ' 94' ' ' ARG . 8.0 t90 -30.67 -56.91 0.21 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.594 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 7.5 mmtt -175.77 128.25 0.24 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.572 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 190' ' ' LYS . . . . . . . . . . . . . 14.6 ptmt -109.92 89.55 3.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.577 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 191' ' ' MET . . . . . . . . . . . . . 82.5 mtp -128.58 136.64 50.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.577 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.789 0 CA-C-O 117.989 -1.451 . . . . 0.0 110.913 -179.958 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 130' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 131' ' ' GLU . . . . . 0.763 ' O ' ' HB3' ' B' ' 132' ' ' ALA . 90.8 mt-10 -53.59 -94.75 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.485 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 132' ' ' ALA . . . . . 0.763 ' HB3' ' O ' ' B' ' 131' ' ' GLU . . . 94.38 -72.58 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.569 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 133' ' ' LEU . . . . . 0.482 ' N ' HD12 ' B' ' 133' ' ' LEU . 10.9 mp -55.62 -48.63 74.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.527 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 134' ' ' LYS . . . . . . . . . . . . . 15.1 tptp 45.42 37.55 3.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.555 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 135' ' ' LYS . . . . . . . . . . . . . 13.6 mtpp -63.06 -43.74 97.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.577 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 136' ' ' ALA . . . . . . . . . . . . . . . -75.01 89.69 2.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.543 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 137' ' ' LEU . . . . . 0.596 HD23 ' N ' ' B' ' 138' ' ' ARG . 3.6 tt -145.54 114.08 6.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.57 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 138' ' ' ARG . . . . . 0.596 ' N ' HD23 ' B' ' 137' ' ' LEU . 37.4 ttm180 69.48 -34.95 0.29 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.548 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 139' ' ' ARG . . . . . 0.545 ' H ' ' C ' ' B' ' 137' ' ' LEU . 15.7 tpp180 -59.44 -45.97 90.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.549 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 140' ' ' HIS . . . . . 0.789 ' O ' ' N ' ' B' ' 143' ' ' LEU . 73.2 m80 -77.61 -69.3 0.55 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.574 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 141' ' ' ARG . . . . . 0.487 ' C ' ' O ' ' B' ' 140' ' ' HIS . 34.8 ttm180 -30.89 -31.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.513 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 142' ' ' PHE . . . . . 0.652 ' N ' ' O ' ' B' ' 140' ' ' HIS . 19.2 m-85 -93.24 -28.04 16.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.52 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 143' ' ' LEU . . . . . 0.789 ' N ' ' O ' ' B' ' 140' ' ' HIS . 42.7 tp -60.88 -33.23 72.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.543 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 144' ' ' TRP . . . . . 0.47 ' O ' ' C ' ' B' ' 145' ' ' GLN . 73.3 t-105 -87.34 -54.83 4.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.449 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 145' ' ' GLN . . . . . 0.47 ' C ' ' O ' ' B' ' 144' ' ' TRP . 56.3 tt0 -34.04 -68.36 0.11 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.602 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 146' ' ' ARG . . . . . 0.704 ' O ' ' N ' ' B' ' 148' ' ' GLN . 35.6 ttm180 43.54 64.88 1.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.524 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 147' ' ' ARG . . . . . . . . . . . . . 79.0 ttt-85 41.73 -81.45 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.535 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 148' ' ' GLN . . . . . 0.704 ' N ' ' O ' ' B' ' 146' ' ' ARG . 16.7 pt20 -85.91 137.41 32.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.612 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 10.0 ptp85 -61.75 -14.71 34.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.539 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 150' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.504 0 CA-C-O 118.021 -0.99 . . . . 0.0 110.593 179.958 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.9 ptt? . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.508 ' OD1' ' N ' ' A' ' 3' ' ' GLY . 27.0 p-10 -60.02 -59.28 5.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.619 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.508 ' N ' ' OD1' ' A' ' 2' ' ' ASP . . . 79.38 -48.58 3.43 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.58 ' OG ' ' N ' ' A' ' 54' ' ' ALA . 0.4 OUTLIER -118.72 -37.13 3.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.751 0.31 . . . . 0.0 110.596 -179.901 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 148.31 177.47 22.65 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 1.053 ' O ' ' HB3' ' A' ' 7' ' ' GLN . 2.3 tp10 -130.97 101.7 5.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.791 0.329 . . . . 0.0 110.585 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 1.053 ' HB3' ' O ' ' A' ' 6' ' ' GLU . 0.5 OUTLIER 116.11 43.31 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.434 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.788 ' HD3' ' H ' ' A' ' 7' ' ' GLN . 37.1 Cg_endo -69.18 100.66 0.76 Allowed 'Trans proline' 0 C--N 1.305 -1.711 0 C-N-CA 122.895 2.396 . . . . 0.0 112.121 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 73.4 mtp180 -64.09 172.96 2.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.638 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.741 ' O ' ' HD3' ' A' ' 13' ' ' PRO . . . 155.52 12.63 0.05 OUTLIER Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.435 ' C ' ' O ' ' A' ' 10' ' ' GLY . . . -35.52 98.81 0.01 OUTLIER Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.071 -0.811 . . . . 0.0 111.071 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.568 ' N ' ' CD ' ' A' ' 13' ' ' PRO . . . 95.12 47.27 2.66 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.741 ' HD3' ' O ' ' A' ' 10' ' ' GLY . 45.3 Cg_endo -72.35 24.33 0.27 Allowed 'Trans proline' 0 C--N 1.305 -1.72 0 C-N-CA 122.842 2.361 . . . . 0.0 112.104 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.44 ' H ' ' C ' ' A' ' 12' ' ' GLY . 1.5 p -99.41 23.05 9.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.575 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 90.5 p -98.83 -173.3 2.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.561 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.8 m -89.79 -10.25 46.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.513 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -73.23 -44.91 58.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.615 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.604 HE22 ' CG2' ' A' ' 22' ' ' THR . 2.1 tm0? -73.01 -21.23 60.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.563 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.44 HG23 ' HE1' ' A' ' 158' ' ' TRP . 30.3 mt -83.38 -56.95 4.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.439 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.448 ' C ' ' SD ' ' A' ' 20' ' ' MET . 2.1 tmt? -51.38 -37.02 45.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.597 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -67.19 -46.41 74.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.571 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.604 ' CG2' HE22 ' A' ' 18' ' ' GLN . 41.7 p -72.01 -6.84 45.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.587 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -80.77 -53.92 3.84 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.29 -9.23 59.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.804 0.335 . . . . 0.0 110.537 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.592 HD23 ' C ' ' A' ' 25' ' ' LEU . 6.4 tt -86.67 -81.04 0.23 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.587 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.553 ' C ' ' O ' ' A' ' 25' ' ' LEU . 67.8 mt -26.36 -66.05 0.06 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.563 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.965 ' O ' HG13 ' A' ' 31' ' ' ILE . 3.8 tp -51.13 -58.08 7.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.512 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.641 ' HA ' HD12 ' A' ' 31' ' ' ILE . 7.3 tp-100 -47.25 -17.91 0.08 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.527 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.546 ' O ' ' N ' ' A' ' 31' ' ' ILE . . . -88.77 -72.86 1.28 Allowed Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -42.08 -18.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.803 0.335 . . . . 0.0 110.631 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.965 HG13 ' O ' ' A' ' 27' ' ' LEU . 57.6 mt -76.93 -69.35 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.552 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.751 ' CB ' HD12 ' A' ' 45' ' ' LEU . 27.4 tt0 -78.69 29.62 0.2 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.588 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.419 ' H ' ' C ' ' A' ' 31' ' ' ILE . 66.5 t0 -112.43 -51.52 2.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.599 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 -90.65 -27.5 18.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.516 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.464 ' CB ' HD22 ' A' ' 122' ' ' LEU . . . -98.08 -13.78 20.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.567 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.43 ' O ' ' O ' ' A' ' 32' ' ' GLN . . . -143.23 83.16 0.21 Allowed Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.41 -51.09 71.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.78 0.324 . . . . 0.0 110.563 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.419 ' CG ' ' H ' ' A' ' 39' ' ' GLY . 22.2 tpp -170.56 -135.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.521 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.419 ' H ' ' CG ' ' A' ' 38' ' ' MET . . . 85.56 -47.66 3.86 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.936 -0.865 . . . . 0.0 110.936 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 57.61 36.52 78.57 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.984 -0.847 . . . . 0.0 110.984 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -94.97 82.76 3.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.847 0.356 . . . . 0.0 110.669 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.522 ' N ' ' HD3' ' A' ' 43' ' ' PRO . . . 57.74 57.69 7.2 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.621 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.622 ' HB3' ' NE2' ' A' ' 32' ' ' GLN . 50.2 Cg_exo -50.94 146.61 21.16 Favored 'Trans proline' 0 C--N 1.304 -1.771 0 C-N-CA 122.823 2.349 . . . . 0.0 112.079 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 56.3 mp0 -94.86 -13.92 25.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.533 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.751 HD12 ' CB ' ' A' ' 32' ' ' GLN . 45.1 mt -99.02 62.22 1.28 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.564 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.494 ' O ' ' HB2' ' A' ' 47' ' ' LEU . . . -71.65 136.92 47.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.619 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.494 ' HB2' ' O ' ' A' ' 46' ' ' ALA . 1.6 tp 175.37 32.47 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.566 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.439 ' C ' ' O ' ' A' ' 47' ' ' LEU . 2.1 m-20 37.26 65.55 2.46 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.568 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_endo -67.22 135.16 36.13 Favored 'Trans proline' 0 C--N 1.305 -1.733 0 C-N-CA 122.804 2.336 . . . . 0.0 112.17 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 1.008 HG23 ' HD2' ' A' ' 51' ' ' PRO . 14.1 p -137.65 152.15 72.17 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.582 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 1.008 ' HD2' HG23 ' A' ' 50' ' ' VAL . 32.9 Cg_endo -67.38 -19.36 49.57 Favored 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 122.761 2.307 . . . . 0.0 112.106 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.688 ' H ' HG22 ' A' ' 50' ' ' VAL . 56.7 tt0 36.05 -84.49 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.6 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.686 ' N ' ' O ' ' A' ' 51' ' ' PRO . 98.0 m-20 -139.02 166.2 25.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.621 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.58 ' N ' ' OG ' ' A' ' 4' ' ' SER . . . -83.26 -3.1 57.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.627 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 91.2 p -59.17 -39.58 82.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.551 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 17.9 p -81.72 -33.78 30.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.604 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 64.1 mmtt -50.27 -54.84 18.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.565 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 30.8 ttpt -59.84 -47.84 84.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.599 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.624 HD23 ' O ' ' A' ' 59' ' ' LEU . 0.8 OUTLIER -61.9 -26.35 68.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.548 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.5 t -71.28 -35.37 71.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.597 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -63.82 -31.74 73.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.616 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.433 ' O ' HG22 ' A' ' 66' ' ' ILE . 95.4 m -64.3 -37.88 89.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.569 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.488 HD12 ' N ' ' A' ' 63' ' ' LEU . 8.3 mp -75.24 -24.57 57.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.645 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -84.33 -36.67 22.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.502 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.437 ' O ' ' OE2' ' A' ' 69' ' ' GLU . 99.7 mtt180 -68.62 -44.4 74.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.551 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.433 HG22 ' O ' ' A' ' 62' ' ' CYS . 20.4 tt -76.54 -35.01 25.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.548 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.428 ' O ' ' CB ' ' A' ' 71' ' ' ASP . . . -61.03 -45.43 96.61 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -62.72 -34.26 76.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.717 0.294 . . . . 0.0 110.558 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.541 ' N ' ' OE1' ' A' ' 69' ' ' GLU . 0.3 OUTLIER -79.74 -58.48 3.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.487 -179.93 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.21 -43.05 74.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.518 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.428 ' CB ' ' O ' ' A' ' 67' ' ' GLY . 53.0 t0 -65.05 -8.69 17.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.589 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.7 t -96.45 7.06 47.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.567 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -92.97 111.5 23.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.54 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 3.9 mmt -68.38 -11.19 59.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.498 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -80.29 -67.34 0.78 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.553 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 7.1 tp -59.85 -40.25 87.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.608 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.608 HE22 ' NZ ' ' A' ' 119' ' ' LYS . 20.5 mm100 -61.73 -38.05 86.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.532 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 72.3 ttt180 -68.4 -44.98 73.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.573 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.492 ' SD ' HG23 ' A' ' 182' ' ' THR . 74.1 mtp -54.53 -43.95 72.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.549 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.646 ' O ' HG12 ' A' ' 83' ' ' VAL . 86.0 mt -62.31 -23.74 32.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.627 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -85.94 -18.71 31.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.55 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -86.45 -15.56 39.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.53 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.881 HG13 ' O ' ' A' ' 83' ' ' VAL . 7.6 p -89.38 83.05 2.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.63 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 53.8 p-10 -41.52 161.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.427 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 75.4 p -119.05 121.13 39.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.581 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -149.89 0.06 0.46 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.426 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.644 ' O ' HG12 ' A' ' 91' ' ' VAL . 35.4 t -175.88 85.63 0.29 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.477 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.51 ' O ' ' CB ' ' A' ' 92' ' ' PHE . 29.5 Cg_endo -66.14 -16.55 52.48 Favored 'Trans proline' 0 C--N 1.305 -1.727 0 C-N-CA 122.793 2.329 . . . . 0.0 112.07 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 34.4 ptt-85 -84.61 -36.74 21.83 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.464 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -76.68 -58.98 2.97 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.511 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.673 HG13 ' N ' ' A' ' 92' ' ' PHE . 10.3 p -55.79 -52.1 52.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.565 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.673 ' N ' HG13 ' A' ' 91' ' ' VAL . 85.2 t80 -45.38 -52.99 9.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.478 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -67.15 -30.85 70.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.509 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 16.1 tpp180 -71.1 -58.18 3.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.556 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.624 HG23 ' N ' ' A' ' 96' ' ' ALA . 27.9 m -59.17 -48.18 87.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.575 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.624 ' N ' HG23 ' A' ' 95' ' ' VAL . . . -54.92 -27.73 45.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.51 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -81.95 -38.86 24.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.558 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 99' ' ' MET . 99.8 m-20 -63.14 -38.65 92.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.572 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . 0.526 ' HB2' HH21 ' A' ' 109' ' ' ARG . 64.1 mtt -38.24 -69.07 0.13 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.522 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.608 ' CD2' ' O ' ' A' ' 100' ' ' PHE . 17.3 p90 -111.2 57.67 0.62 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.585 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.3 t -74.74 -26.85 60.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.626 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.552 ' O ' ' C ' ' A' ' 103' ' ' GLY . 55.3 p-10 -155.6 -18.27 0.11 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.547 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.552 ' C ' ' O ' ' A' ' 102' ' ' ASP . . . -26.41 -80.68 0.01 OUTLIER Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . 0.607 ' O ' ' CG ' ' A' ' 105' ' ' PHE . 8.3 m-20 174.55 34.35 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.831 0.348 . . . . 0.0 110.584 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.607 ' CG ' ' O ' ' A' ' 104' ' ' ASN . 27.8 p90 42.61 29.15 0.15 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.574 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.523 ' CG ' ' H ' ' A' ' 107' ' ' TRP . 28.7 p30 -52.11 -110.47 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.54 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' TRP . . . . . 0.535 ' NE1' HG21 ' A' ' 110' ' ' VAL . 6.5 t90 174.57 -26.19 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.522 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.591 ' O ' HG12 ' A' ' 111' ' ' VAL . . . -50.18 -42.02 39.92 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.526 HH21 ' HB2' ' A' ' 99' ' ' MET . 0.0 OUTLIER -48.16 -26.01 1.72 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.808 0.337 . . . . 0.0 110.534 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.535 HG21 ' NE1' ' A' ' 107' ' ' TRP . 33.8 t -52.67 -57.9 3.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.53 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.591 HG12 ' O ' ' A' ' 108' ' ' GLY . 4.7 p -45.25 -46.83 3.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.54 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.581 ' N ' HG13 ' A' ' 111' ' ' VAL . . . -58.12 -34.93 70.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.534 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.667 ' O ' HD23 ' A' ' 113' ' ' LEU . 1.9 tt -56.97 -46.62 82.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.558 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.44 ' CZ ' ' CG1' ' A' ' 110' ' ' VAL . 10.2 m-85 -57.41 -43.96 84.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.484 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 88.1 t80 -68.18 -43.39 78.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.528 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.446 ' CE2' HG21 ' A' ' 95' ' ' VAL . 92.5 t80 -59.12 -41.88 89.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.559 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.531 ' O ' HG23 ' A' ' 121' ' ' VAL . . . -71.09 -32.42 69.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.525 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 4.9 t -48.72 -44.03 37.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.534 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.819 ' O ' ' CB ' ' A' ' 123' ' ' LYS . 60.3 mmtt -60.25 -43.51 96.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.54 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 52.6 mt -68.26 -30.69 69.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.523 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.709 HG13 HG23 ' A' ' 133' ' ' ILE . 49.0 t -77.59 -53.54 14.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.538 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.464 HD22 ' CB ' ' A' ' 35' ' ' ALA . 69.3 mt -72.99 -40.69 65.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.558 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.819 ' CB ' ' O ' ' A' ' 119' ' ' LYS . 65.3 tttm -58.19 -40.93 82.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.595 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.429 ' O ' ' OG1' ' A' ' 127' ' ' THR . . . -76.28 -20.43 57.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.575 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.419 HD12 ' HA ' ' A' ' 125' ' ' LEU . 40.6 tp -64.62 -30.37 71.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.548 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . 0.499 ' SG ' ' N ' ' A' ' 127' ' ' THR . 6.3 p -84.71 -35.73 22.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.547 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.556 ' O ' ' CB ' ' A' ' 128' ' ' LYS . 40.3 p -54.64 -17.11 2.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.487 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.556 ' CB ' ' O ' ' A' ' 127' ' ' THR . 73.7 tttt 85.07 47.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.57 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.535 ' CG2' ' OG1' ' A' ' 127' ' ' THR . 0.2 OUTLIER -148.8 85.97 5.91 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.53 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . 0.404 ' HA ' HG12 ' A' ' 133' ' ' ILE . 35.1 Cg_endo -68.22 -15.73 43.11 Favored 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 122.85 2.366 . . . . 0.0 112.021 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -63.38 -42.49 98.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.469 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 8.6 mp -59.67 -34.23 72.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.492 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.709 HG23 HG13 ' A' ' 121' ' ' VAL . 21.2 mm -56.88 -50.23 76.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.518 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 -69.07 -34.9 75.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.483 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 8.2 m -67.14 -31.96 72.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.504 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.414 HG21 ' CG2' ' A' ' 121' ' ' VAL . 46.4 mt -69.68 -58.88 4.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.545 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 84.0 mtp -46.4 -25.65 0.69 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.532 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -68.57 -40.47 86.12 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' TRP . . . . . 0.512 ' CD1' ' N ' ' A' ' 139' ' ' TRP . 12.9 m0 -66.31 -24.5 66.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.844 0.355 . . . . 0.0 110.563 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' THR . . . . . 0.499 ' OG1' ' N ' ' A' ' 141' ' ' LEU . 16.1 p -75.48 -65.73 0.86 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.568 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.499 ' N ' ' OG1' ' A' ' 140' ' ' THR . 55.1 mt -51.88 -33.64 37.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.513 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -65.75 -50.98 62.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.58 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . 0.489 ' O ' ' HB2' ' A' ' 147' ' ' ARG . 37.1 t80 -66.92 -38.84 86.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.549 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.511 ' HA ' HD23 ' A' ' 148' ' ' LEU . 0.4 OUTLIER -71.04 -35.54 72.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.555 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 59.0 ttp180 -82.98 -10.68 58.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.561 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -112.07 -4.6 14.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.58 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . 1.154 ' O ' ' N ' ' A' ' 149' ' ' LEU . 8.0 mtp180 -142.18 -110.89 0.13 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.64 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . 0.845 ' H ' HD22 ' A' ' 148' ' ' LEU . 1.0 OUTLIER -15.35 -27.75 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.542 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . 1.154 ' N ' ' O ' ' A' ' 147' ' ' ARG . 40.2 tp -49.2 -56.3 9.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.529 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -63.83 -50.63 59.82 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 151' ' ' TRP . . . . . . . . . . . . . 99.5 m95 -66.24 -55.91 13.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.819 0.342 . . . . 0.0 110.578 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 152' ' ' ILE . . . . . 0.698 ' N ' ' O ' ' A' ' 148' ' ' LEU . 9.1 tt -51.28 -34.29 14.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.494 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 56.8 tt0 -67.53 -31.12 71.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.537 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -89.23 -4.57 58.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.57 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -97.49 0.74 48.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.58 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 83.75 24.57 49.21 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 89.9 -160.4 28.61 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 158' ' ' TRP . . . . . 0.44 ' HE1' HG23 ' A' ' 19' ' ' ILE . 58.5 m95 -73.87 -5.65 42.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.76 0.314 . . . . 0.0 110.52 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -60.88 -42.5 98.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.544 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -54.49 -31.99 52.35 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . 0.588 HD23 ' O ' ' A' ' 161' ' ' LEU . 2.0 tt -63.04 -53.97 45.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.847 0.356 . . . . 0.0 110.546 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 52.3 tp -67.26 -30.96 70.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.487 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 21.3 t -66.99 -25.91 66.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.602 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 91.8 t80 -77.05 -42.45 38.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.627 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -71.65 48.28 0.15 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.502 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -131.53 39.61 1.75 Allowed Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 167' ' ' THR . . . . . 0.957 ' OG1' ' HD2' ' A' ' 168' ' ' PRO . 0.6 OUTLIER -108.91 177.88 1.16 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 120.86 0.362 . . . . 0.0 110.602 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 168' ' ' PRO . . . . . 0.957 ' HD2' ' OG1' ' A' ' 167' ' ' THR . 38.6 Cg_endo -70.31 -145.08 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.738 0 C-N-CA 122.815 2.343 . . . . 0.0 112.066 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 169' ' ' THR . . . . . 0.58 ' C ' ' O ' ' A' ' 168' ' ' PRO . 19.1 p -24.47 103.0 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.57 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 170' ' ' TRP . . . . . 0.691 ' O ' HG22 ' A' ' 173' ' ' VAL . 33.5 p90 -65.88 -18.45 65.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.594 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 171' ' ' GLN . . . . . 0.528 ' NE2' ' OG1' ' A' ' 172' ' ' THR . 5.4 pp0? -47.2 -14.41 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.498 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 172' ' ' THR . . . . . 0.528 ' OG1' ' NE2' ' A' ' 171' ' ' GLN . 4.9 m -86.64 -29.5 22.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.595 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 173' ' ' VAL . . . . . 0.691 HG22 ' O ' ' A' ' 170' ' ' TRP . 2.0 m -72.12 -45.66 61.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.58 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 174' ' ' THR . . . . . 0.564 ' N ' ' CG2' ' A' ' 173' ' ' VAL . 25.1 m -64.59 -24.89 67.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.578 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 175' ' ' ILE . . . . . 0.555 ' O ' HG22 ' A' ' 175' ' ' ILE . 89.3 mt -85.84 -7.41 10.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.537 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 176' ' ' PHE . . . . . 0.484 ' O ' HG12 ' A' ' 180' ' ' VAL . 64.1 t80 -94.72 -60.02 1.79 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.549 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 3.2 m -62.13 -16.7 16.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.532 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 178' ' ' ALA . . . . . 0.625 ' O ' ' OG1' ' A' ' 182' ' ' THR . . . -95.58 -45.9 6.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.546 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -62.34 -26.09 67.53 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 180' ' ' VAL . . . . . 0.697 HG13 ' N ' ' A' ' 181' ' ' LEU . 13.6 p -86.24 -51.79 12.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.756 0.312 . . . . 0.0 110.554 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . 0.697 ' N ' HG13 ' A' ' 180' ' ' VAL . 43.4 tp -69.27 -47.95 63.14 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.598 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 182' ' ' THR . . . . . 0.625 ' OG1' ' O ' ' A' ' 178' ' ' ALA . 25.3 m -50.55 -51.31 49.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.592 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -47.39 -45.74 25.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.58 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 184' ' ' SER . . . . . . . . . . . . . 27.8 t -54.38 -37.9 65.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.617 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 62.9 mt -77.62 -21.66 51.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.589 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 21.7 m -73.31 -44.82 58.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.598 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 187' ' ' ILE . . . . . 0.636 HG23 ' N ' ' A' ' 188' ' ' TRP . 12.3 tt -73.67 -51.66 24.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.605 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 188' ' ' TRP . . . . . 0.636 ' N ' HG23 ' A' ' 187' ' ' ILE . 0.1 OUTLIER -30.67 -56.99 0.21 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.619 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 8.2 mmtt -175.72 128.37 0.24 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.543 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 190' ' ' LYS . . . . . . . . . . . . . 14.7 ptmt -109.97 89.52 3.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.539 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 191' ' ' MET . . . . . . . . . . . . . 84.6 mtp -128.58 136.61 50.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.524 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.707 0 CA-C-O 117.987 -1.452 . . . . 0.0 110.926 179.972 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 130' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 131' ' ' GLU . . . . . 0.762 ' O ' ' HB3' ' B' ' 132' ' ' ALA . 90.8 mt-10 -53.6 -94.74 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.48 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 132' ' ' ALA . . . . . 0.762 ' HB3' ' O ' ' B' ' 131' ' ' GLU . . . 94.38 -72.58 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.569 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 133' ' ' LEU . . . . . 0.483 ' N ' HD12 ' B' ' 133' ' ' LEU . 10.9 mp -55.61 -48.7 74.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.491 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 134' ' ' LYS . . . . . . . . . . . . . 15.1 tptp 45.45 37.56 3.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.569 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 135' ' ' LYS . . . . . . . . . . . . . 13.7 mtpp -63.06 -43.75 97.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.61 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 136' ' ' ALA . . . . . . . . . . . . . . . -74.99 89.75 2.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.56 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 137' ' ' LEU . . . . . 0.596 HD23 ' N ' ' B' ' 138' ' ' ARG . 3.6 tt -145.58 114.08 6.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.548 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 138' ' ' ARG . . . . . 0.596 ' N ' HD23 ' B' ' 137' ' ' LEU . 37.4 ttm180 69.48 -35.02 0.3 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.559 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 139' ' ' ARG . . . . . 0.544 ' H ' ' C ' ' B' ' 137' ' ' LEU . 15.7 tpp180 -59.38 -46.06 89.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.528 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 140' ' ' HIS . . . . . 0.789 ' O ' ' N ' ' B' ' 143' ' ' LEU . 73.1 m80 -77.59 -69.33 0.55 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.577 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 141' ' ' ARG . . . . . 0.488 ' C ' ' O ' ' B' ' 140' ' ' HIS . 34.8 ttm180 -30.82 -31.37 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.541 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 142' ' ' PHE . . . . . 0.653 ' N ' ' O ' ' B' ' 140' ' ' HIS . 19.3 m-85 -93.24 -28.04 16.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.538 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 143' ' ' LEU . . . . . 0.789 ' N ' ' O ' ' B' ' 140' ' ' HIS . 42.4 tp -60.89 -33.29 72.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.52 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 144' ' ' TRP . . . . . 0.47 ' O ' ' C ' ' B' ' 145' ' ' GLN . 73.3 t-105 -87.32 -54.78 4.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.53 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 145' ' ' GLN . . . . . 0.47 ' C ' ' O ' ' B' ' 144' ' ' TRP . 56.2 tt0 -34.05 -68.33 0.11 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.627 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 146' ' ' ARG . . . . . 0.704 ' O ' ' N ' ' B' ' 148' ' ' GLN . 35.6 ttm180 43.46 64.88 1.1 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.56 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 147' ' ' ARG . . . . . . . . . . . . . 78.9 ttt-85 41.7 -81.36 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.617 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 148' ' ' GLN . . . . . 0.704 ' N ' ' O ' ' B' ' 146' ' ' ARG . 16.7 pt20 -85.94 137.34 32.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.656 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 10.0 ptp85 -61.71 -14.74 34.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.519 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 150' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 118.033 -0.985 . . . . 0.0 110.563 179.995 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.0 ptt? . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.666 ' OD1' ' N ' ' A' ' 3' ' ' GLY . 41.3 p-10 -63.02 -57.58 10.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.602 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.666 ' N ' ' OD1' ' A' ' 2' ' ' ASP . . . 79.92 -53.39 4.34 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 69.9 m -137.46 -28.97 0.89 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.826 0.346 . . . . 0.0 110.509 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 146.15 170.17 14.6 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 1.059 ' O ' ' HB3' ' A' ' 7' ' ' GLN . 5.0 tp10 -122.01 110.57 15.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.787 0.327 . . . . 0.0 110.407 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 1.059 ' HB3' ' O ' ' A' ' 6' ' ' GLU . 11.1 tt0 102.27 31.28 0.0 OUTLIER Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.281 -179.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.815 ' CD ' ' N ' ' A' ' 7' ' ' GLN . 48.6 Cg_endo -72.25 120.51 6.83 Favored 'Trans proline' 0 C--N 1.305 -1.724 0 C-N-CA 122.93 2.42 . . . . 0.0 112.112 -179.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 53.0 mtp180 -104.36 130.84 52.2 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.549 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.694 ' C ' ' H ' ' A' ' 12' ' ' GLY . . . -158.27 128.52 2.1 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -58.07 11.73 0.02 OUTLIER Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.694 ' H ' ' C ' ' A' ' 10' ' ' GLY . . . -106.78 100.14 1.55 Allowed Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.645 ' O ' ' N ' ' A' ' 15' ' ' SER . 65.3 Cg_exo -45.76 -72.33 0.05 OUTLIER 'Trans proline' 0 C--N 1.305 -1.752 0 C-N-CA 122.76 2.307 . . . . 0.0 112.064 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.539 ' C ' ' O ' ' A' ' 13' ' ' PRO . 29.7 p -27.16 86.85 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.55 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.966 ' O ' HD12 ' A' ' 19' ' ' ILE . 4.2 p -136.57 -157.33 0.77 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.517 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 45.9 m -96.3 -10.95 26.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.578 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -88.43 -49.56 6.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.588 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -65.78 -23.69 66.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.582 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.966 HD12 ' O ' ' A' ' 15' ' ' SER . 84.6 mt -81.35 -54.79 9.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.625 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.451 ' C ' ' SD ' ' A' ' 20' ' ' MET . 13.4 tmm? -53.58 -36.61 62.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.614 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.3 tppt? -67.19 -46.37 74.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.586 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.455 HG22 ' O ' ' A' ' 22' ' ' THR . 40.5 m -72.05 -8.07 52.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.557 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -79.45 -53.93 4.19 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.44 -9.25 59.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.818 0.342 . . . . 0.0 110.491 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.598 HD23 ' C ' ' A' ' 25' ' ' LEU . 6.6 tt -86.63 -80.92 0.23 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.538 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.553 ' C ' ' O ' ' A' ' 25' ' ' LEU . 48.6 tp -26.57 -66.07 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.567 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.423 ' C ' ' N ' ' A' ' 29' ' ' GLY . 5.7 tp -51.04 -57.99 7.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.618 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.454 ' HA ' HD12 ' A' ' 31' ' ' ILE . 9.5 tm0? -47.35 -17.9 0.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.544 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.542 ' O ' ' N ' ' A' ' 31' ' ' ILE . . . -88.83 -72.87 1.28 Allowed Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.876 -0.889 . . . . 0.0 110.876 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -42.08 -18.8 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.795 0.331 . . . . 0.0 110.573 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.542 ' N ' ' O ' ' A' ' 29' ' ' GLY . 96.9 mt -77.04 -69.15 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.609 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.411 ' O ' ' CD ' ' A' ' 32' ' ' GLN . 4.9 pp0? -78.88 29.95 0.2 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.584 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.417 ' H ' ' C ' ' A' ' 31' ' ' ILE . 65.3 t0 -112.89 -51.11 2.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.554 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -91.23 -27.03 18.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.548 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.546 ' O ' ' N ' ' A' ' 37' ' ' ARG . . . -99.0 -13.14 20.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.598 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 35' ' ' ALA . . . -38.5 90.95 0.01 OUTLIER Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.546 ' N ' ' O ' ' A' ' 35' ' ' ALA . 75.4 ttt180 -68.61 -40.44 80.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.754 0.311 . . . . 0.0 110.532 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 94.8 mtp 52.69 43.0 31.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.629 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -85.57 -161.16 34.31 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -64.15 -47.61 83.46 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -66.59 150.59 48.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.889 0.376 . . . . 0.0 110.568 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.53 152.47 92.38 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.574 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -49.59 147.33 13.32 Favored 'Trans proline' 0 C--N 1.306 -1.703 0 C-N-CA 122.806 2.337 . . . . 0.0 112.115 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.422 ' OE1' ' N ' ' A' ' 44' ' ' GLU . 54.4 mp0 -94.1 -11.78 29.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.606 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.532 HD12 ' CG2' ' A' ' 31' ' ' ILE . 0.7 OUTLIER -98.31 61.7 1.45 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.58 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.43 ' O ' ' HB2' ' A' ' 47' ' ' LEU . . . -70.32 138.08 51.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.578 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.476 ' O ' ' C ' ' A' ' 48' ' ' ASP . 22.6 tp 177.31 75.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.556 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.476 ' C ' ' O ' ' A' ' 47' ' ' LEU . 15.5 m-20 34.34 78.25 0.34 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.501 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_endo -64.53 101.96 0.39 Allowed 'Trans proline' 0 C--N 1.305 -1.738 0 C-N-CA 122.819 2.346 . . . . 0.0 112.043 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.707 HG22 ' O ' ' A' ' 50' ' ' VAL . 7.7 p -169.77 53.1 0.21 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.478 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.551 ' O ' ' HG3' ' A' ' 52' ' ' GLN . 76.3 Cg_exo -44.17 153.13 0.34 Allowed 'Trans proline' 0 C--N 1.304 -1.767 0 C-N-CA 122.849 2.366 . . . . 0.0 112.148 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.551 ' HG3' ' O ' ' A' ' 51' ' ' PRO . 75.2 mt-30 -159.8 166.31 30.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.522 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.411 ' O ' ' O ' ' A' ' 52' ' ' GLN . 95.9 m-20 60.95 128.32 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.638 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -82.61 -0.66 48.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.574 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 40.9 t -60.68 -39.41 88.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.561 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 27.7 p -82.78 -33.79 27.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.577 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 56.6 tttp -49.9 -54.98 16.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.572 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 6.0 tppt? -59.61 -48.16 82.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.63 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.637 HD23 ' O ' ' A' ' 59' ' ' LEU . 0.9 OUTLIER -61.57 -26.25 67.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.608 179.936 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.6 t -71.41 -35.36 70.97 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.6 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -63.94 -31.66 72.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.629 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 93.8 m -64.28 -37.81 88.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.595 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.472 HD12 ' N ' ' A' ' 63' ' ' LEU . 9.0 mp -75.33 -24.62 57.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.552 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 63.2 tttp -84.27 -36.67 22.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.585 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.453 ' O ' ' OE1' ' A' ' 69' ' ' GLU . 95.0 mtt180 -68.53 -44.42 74.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.57 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 18.9 tt -76.5 -35.12 25.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.545 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.424 ' O ' ' CB ' ' A' ' 71' ' ' ASP . . . -60.93 -45.41 96.61 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.444 ' O ' ' OD1' ' A' ' 68' ' ' ASP . 68.2 t0 -62.73 -34.36 77.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.792 0.329 . . . . 0.0 110.592 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.543 ' N ' ' OE1' ' A' ' 69' ' ' GLU . 3.0 mp0 -79.57 -58.55 3.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.567 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 2.1 mt -55.1 -43.07 73.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.632 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.424 ' CB ' ' O ' ' A' ' 67' ' ' GLY . 38.9 t70 -65.03 -8.73 17.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.58 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.4 t -96.45 7.07 47.41 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.532 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -93.0 111.54 23.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.617 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 97.8 mmm -68.44 -11.09 59.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.523 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -80.43 -67.21 0.79 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.558 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 49.5 tp -59.87 -40.26 88.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.576 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 11.1 tm0? -61.74 -37.97 86.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.613 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 71.7 ttt180 -68.44 -44.94 73.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.582 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.484 ' SD ' HG23 ' A' ' 182' ' ' THR . 74.3 mtp -54.59 -43.93 72.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.525 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.646 ' O ' HG12 ' A' ' 83' ' ' VAL . 84.6 mt -62.34 -23.73 32.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.648 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -85.97 -18.77 31.69 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.572 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -86.44 -15.23 40.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.63 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.867 HG13 ' O ' ' A' ' 83' ' ' VAL . 7.9 p -89.64 82.76 2.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.62 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.404 ' O ' ' O ' ' A' ' 83' ' ' VAL . 53.9 p-10 -40.97 162.09 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.607 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 70.0 p -119.26 120.5 37.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.598 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -149.3 -0.18 0.49 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.537 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.669 ' O ' HG12 ' A' ' 91' ' ' VAL . 44.5 t -175.68 86.86 0.29 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.512 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.6 ' O ' ' HB2' ' A' ' 92' ' ' PHE . 33.3 Cg_endo -67.38 -16.23 47.37 Favored 'Trans proline' 0 C--N 1.305 -1.734 0 C-N-CA 122.782 2.321 . . . . 0.0 112.028 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 21.0 ptt180 -85.53 -35.33 21.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.449 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -77.91 -57.88 3.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.5 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.669 HG12 ' O ' ' A' ' 87' ' ' SER . 10.0 p -57.3 -51.24 71.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.509 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.655 ' N ' HG13 ' A' ' 91' ' ' VAL . 26.3 t80 -45.93 -52.52 11.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.55 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -67.62 -30.66 70.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.516 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 16.2 tpp180 -71.18 -58.12 3.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.541 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.626 HG23 ' N ' ' A' ' 96' ' ' ALA . 27.2 m -59.29 -48.04 88.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.564 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.626 ' N ' HG23 ' A' ' 95' ' ' VAL . . . -54.99 -27.8 46.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.562 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -81.79 -38.93 24.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.575 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.41 ' O ' ' C ' ' A' ' 99' ' ' MET . 99.2 m-20 -63.22 -38.74 92.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.447 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . 0.41 ' C ' ' O ' ' A' ' 98' ' ' ASP . 64.8 mtt -38.37 -68.84 0.14 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.527 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.579 ' CE1' ' NH2' ' A' ' 109' ' ' ARG . 14.3 p90 -111.3 57.53 0.63 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.598 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.1 t -74.65 -26.84 60.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.585 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.538 ' O ' ' C ' ' A' ' 103' ' ' GLY . 54.9 p-10 -155.58 -18.38 0.11 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.589 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.538 ' C ' ' O ' ' A' ' 102' ' ' ASP . . . -26.34 -80.71 0.01 OUTLIER Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . 0.608 ' O ' ' CG ' ' A' ' 105' ' ' PHE . 9.3 m-20 174.5 34.37 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.791 0.329 . . . . 0.0 110.604 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.608 ' CG ' ' O ' ' A' ' 104' ' ' ASN . 32.3 p90 42.62 29.23 0.15 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.509 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.521 ' O ' ' HB2' ' A' ' 107' ' ' TRP . 27.8 p30 -52.23 -110.41 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.606 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' TRP . . . . . 0.547 ' NE1' HG21 ' A' ' 110' ' ' VAL . 6.8 t90 174.58 -26.19 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.543 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.592 ' O ' HG12 ' A' ' 111' ' ' VAL . . . -50.01 -42.34 39.05 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.579 ' NH2' ' CE1' ' A' ' 100' ' ' PHE . 0.0 OUTLIER -48.01 -26.09 1.65 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.888 0.375 . . . . 0.0 110.607 -179.946 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.547 HG21 ' NE1' ' A' ' 107' ' ' TRP . 29.1 t -52.49 -57.96 3.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.539 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.592 HG12 ' O ' ' A' ' 108' ' ' GLY . 4.8 p -45.31 -46.75 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.509 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.583 ' N ' HG13 ' A' ' 111' ' ' VAL . . . -58.23 -34.71 70.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.56 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.669 ' O ' HD23 ' A' ' 113' ' ' LEU . 2.0 tt -57.07 -46.8 82.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.576 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -57.32 -44.04 83.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.46 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 91.9 t80 -67.87 -43.58 79.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.577 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.441 ' CE2' HG21 ' A' ' 95' ' ' VAL . 91.8 t80 -59.14 -41.76 89.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.564 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.527 ' O ' HG23 ' A' ' 121' ' ' VAL . . . -71.05 -32.52 69.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.529 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 4.9 t -48.62 -44.19 37.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.581 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.812 ' O ' ' CB ' ' A' ' 123' ' ' LYS . 55.0 mmtt -59.95 -43.58 94.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.616 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 50.8 mt -68.23 -31.01 70.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.512 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.716 HG13 HG23 ' A' ' 133' ' ' ILE . 48.9 t -77.45 -53.42 14.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.488 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.47 HD22 ' CB ' ' A' ' 35' ' ' ALA . 70.5 mt -72.76 -41.1 65.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.567 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.812 ' CB ' ' O ' ' A' ' 119' ' ' LYS . 46.1 tptt -58.06 -41.4 83.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.521 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.502 ' O ' ' OG1' ' A' ' 127' ' ' THR . . . -75.26 -21.78 58.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.499 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 49.0 tp -63.4 -32.09 73.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.56 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . 0.53 ' SG ' ' O ' ' A' ' 123' ' ' LYS . 0.1 OUTLIER -83.37 -35.58 25.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.594 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.742 ' O ' ' HB2' ' A' ' 128' ' ' LYS . 45.4 p -53.72 -19.42 4.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.533 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.742 ' HB2' ' O ' ' A' ' 127' ' ' THR . 51.8 mttp 87.72 45.37 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.538 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.558 ' CG2' ' OG1' ' A' ' 127' ' ' THR . 0.0 OUTLIER -148.22 87.92 5.58 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.511 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . 0.405 ' HA ' HG12 ' A' ' 133' ' ' ILE . 37.9 Cg_endo -69.81 -14.6 36.15 Favored 'Trans proline' 0 C--N 1.306 -1.707 0 C-N-CA 122.719 2.279 . . . . 0.0 112.043 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -64.17 -41.77 96.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.421 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 8.5 mp -60.42 -34.37 73.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.447 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.716 HG23 HG13 ' A' ' 121' ' ' VAL . 21.9 mm -56.63 -50.21 74.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.55 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 84.2 mtp180 -69.09 -34.89 75.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.522 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 7.9 m -67.15 -32.01 72.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.449 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.419 HG21 ' CG2' ' A' ' 121' ' ' VAL . 46.8 mt -69.78 -58.87 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.465 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 42.1 ttm -46.45 -25.41 0.66 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.534 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -68.75 -40.43 85.3 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' TRP . . . . . 0.505 ' CD1' ' N ' ' A' ' 139' ' ' TRP . 12.7 m0 -66.37 -24.45 66.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.813 0.339 . . . . 0.0 110.531 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' THR . . . . . 0.469 ' OG1' ' N ' ' A' ' 141' ' ' LEU . 23.2 p -75.53 -65.84 0.85 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.56 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.469 ' N ' ' OG1' ' A' ' 140' ' ' THR . 52.5 mt -51.74 -33.64 35.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.594 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -65.69 -51.05 62.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.607 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -66.8 -38.85 87.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.57 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.572 HD12 ' HB2' ' A' ' 148' ' ' LEU . 2.0 tp -71.18 -35.43 71.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.552 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 58.9 ttp180 -82.98 -10.69 58.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.561 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -112.07 -4.63 14.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.548 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . 1.153 ' O ' ' N ' ' A' ' 149' ' ' LEU . 42.7 mtp180 -142.14 -110.8 0.13 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.535 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . 0.797 ' H ' HD22 ' A' ' 148' ' ' LEU . 1.0 OUTLIER -15.52 -27.68 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.602 -179.953 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . 1.153 ' N ' ' O ' ' A' ' 147' ' ' ARG . 47.1 tp -49.03 -56.4 9.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.565 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -63.8 -50.75 59.1 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 151' ' ' TRP . . . . . . . . . . . . . 59.7 m95 -66.2 -55.85 14.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.758 0.313 . . . . 0.0 110.548 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 152' ' ' ILE . . . . . 0.695 ' N ' ' O ' ' A' ' 148' ' ' LEU . 10.7 tt -51.37 -34.27 14.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.564 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 46.2 tt0 -67.51 -31.16 71.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.609 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -89.2 -4.44 58.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.538 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -97.57 0.83 48.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.586 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 83.67 24.72 49.01 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 89.82 -160.32 28.65 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 158' ' ' TRP . . . . . 0.408 ' NE1' HD11 ' A' ' 152' ' ' ILE . 53.8 m95 -73.98 -5.64 42.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.795 0.331 . . . . 0.0 110.569 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -60.88 -42.5 98.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.532 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -54.39 -32.16 51.83 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . 0.605 HD23 ' O ' ' A' ' 161' ' ' LEU . 2.6 tt -63.02 -53.94 46.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.804 0.335 . . . . 0.0 110.587 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 56.6 tp -67.09 -31.07 71.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.575 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 5.1 t -66.87 -26.2 66.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.496 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 89.9 t80 -76.7 -42.65 40.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.589 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -71.63 48.05 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.559 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -130.96 39.03 1.84 Allowed Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 167' ' ' THR . . . . . 0.998 ' OG1' ' HD2' ' A' ' 168' ' ' PRO . 0.5 OUTLIER -108.39 179.24 0.89 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 120.899 0.38 . . . . 0.0 110.521 -179.938 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 168' ' ' PRO . . . . . 0.998 ' HD2' ' OG1' ' A' ' 167' ' ' THR . 46.5 Cg_endo -72.29 -145.73 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.719 0 C-N-CA 122.781 2.32 . . . . 0.0 112.054 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 169' ' ' THR . . . . . 0.588 ' C ' ' O ' ' A' ' 168' ' ' PRO . 25.7 p -23.38 101.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.605 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 170' ' ' TRP . . . . . 0.683 ' O ' HG22 ' A' ' 173' ' ' VAL . 29.0 p90 -64.9 -18.78 65.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.596 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 171' ' ' GLN . . . . . 0.54 ' NE2' ' OG1' ' A' ' 172' ' ' THR . 5.4 pp0? -46.83 -14.11 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.582 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 172' ' ' THR . . . . . 0.54 ' OG1' ' NE2' ' A' ' 171' ' ' GLN . 97.9 m -87.03 -29.62 21.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.617 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 173' ' ' VAL . . . . . 0.683 HG22 ' O ' ' A' ' 170' ' ' TRP . 2.0 m -72.07 -45.61 62.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.567 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 174' ' ' THR . . . . . 0.567 ' N ' ' CG2' ' A' ' 173' ' ' VAL . 24.4 m -64.57 -24.91 67.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.576 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 175' ' ' ILE . . . . . 0.518 HG22 ' O ' ' A' ' 172' ' ' THR . 1.8 tt -85.8 -7.42 10.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.536 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 176' ' ' PHE . . . . . 0.489 ' O ' HG12 ' A' ' 180' ' ' VAL . 62.9 t80 -94.68 -60.13 1.77 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.568 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 3.3 m -62.05 -16.73 16.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.576 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 178' ' ' ALA . . . . . 0.618 ' O ' ' OG1' ' A' ' 182' ' ' THR . . . -95.55 -45.9 6.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.614 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -62.39 -26.06 67.57 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 180' ' ' VAL . . . . . 0.7 HG13 ' N ' ' A' ' 181' ' ' LEU . 13.9 p -86.31 -51.73 12.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.811 0.338 . . . . 0.0 110.556 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . 0.7 ' N ' HG13 ' A' ' 180' ' ' VAL . 43.1 tp -69.32 -47.94 62.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.569 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 182' ' ' THR . . . . . 0.618 ' OG1' ' O ' ' A' ' 178' ' ' ALA . 26.1 m -50.58 -51.33 49.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.572 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -47.38 -45.72 25.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.574 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 184' ' ' SER . . . . . . . . . . . . . 27.5 t -54.4 -37.85 65.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.644 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 64.5 mt -77.7 -21.69 51.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.527 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 21.3 m -73.26 -44.86 58.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.567 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 187' ' ' ILE . . . . . 0.636 HG23 ' N ' ' A' ' 188' ' ' TRP . 12.5 tt -73.63 -51.7 23.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.572 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 188' ' ' TRP . . . . . 0.636 ' N ' HG23 ' A' ' 187' ' ' ILE . 0.2 OUTLIER -30.74 -56.99 0.21 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.472 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 8.0 mmtt -175.72 128.28 0.24 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.551 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 190' ' ' LYS . . . . . . . . . . . . . 14.5 ptmt -109.87 89.61 3.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.598 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 191' ' ' MET . . . . . . . . . . . . . 84.1 mtp -128.71 136.58 50.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.547 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.813 0 CA-C-O 118.007 -1.441 . . . . 0.0 110.922 -179.969 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 130' ' ' CYS . . . . . . . . . . . . . 13.3 p . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 131' ' ' GLU . . . . . 0.797 ' O ' ' N ' ' B' ' 133' ' ' LEU . 55.8 mm-40 -66.76 167.45 11.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.534 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 132' ' ' ALA . . . . . 0.546 ' C ' ' O ' ' B' ' 131' ' ' GLU . . . 27.46 28.33 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.583 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 133' ' ' LEU . . . . . 0.797 ' N ' ' O ' ' B' ' 131' ' ' GLU . 5.3 tp 53.17 -127.1 2.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.573 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 134' ' ' LYS . . . . . . . . . . . . . 69.1 mmtt -99.12 -4.61 31.86 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.59 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 135' ' ' LYS . . . . . 0.517 ' O ' ' HB3' ' B' ' 136' ' ' ALA . 62.8 mttp -69.1 -45.58 69.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.52 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 136' ' ' ALA . . . . . 0.517 ' HB3' ' O ' ' B' ' 135' ' ' LYS . . . 70.03 -147.6 0.09 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.493 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 137' ' ' LEU . . . . . 0.586 ' N ' HD12 ' B' ' 137' ' ' LEU . 10.2 mp -86.95 123.49 32.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.572 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 138' ' ' ARG . . . . . . . . . . . . . 87.4 mtm180 -93.52 -8.81 40.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.538 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 139' ' ' ARG . . . . . . . . . . . . . 58.2 ttm-85 -59.34 -44.35 92.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.575 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 140' ' ' HIS . . . . . 0.701 ' O ' ' N ' ' B' ' 143' ' ' LEU . 1.8 m-70 -80.64 -66.09 0.93 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.563 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 141' ' ' ARG . . . . . 0.497 ' C ' ' O ' ' B' ' 140' ' ' HIS . 58.2 ttp180 -32.32 -32.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.48 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 142' ' ' PHE . . . . . 0.595 ' N ' ' O ' ' B' ' 140' ' ' HIS . 52.9 t80 -91.84 -31.73 15.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.572 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 143' ' ' LEU . . . . . 0.701 ' N ' ' O ' ' B' ' 140' ' ' HIS . 33.2 tp -56.11 -34.86 66.46 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.533 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 144' ' ' TRP . . . . . 0.452 ' O ' ' C ' ' B' ' 145' ' ' GLN . 72.9 t-105 -86.46 -56.28 3.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.512 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 145' ' ' GLN . . . . . 0.528 ' OE1' ' O ' ' B' ' 146' ' ' ARG . 4.2 tm0? -33.85 -68.32 0.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.553 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 146' ' ' ARG . . . . . 0.528 ' O ' ' OE1' ' B' ' 145' ' ' GLN . 19.4 mmm180 40.86 -133.45 0.29 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.557 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 147' ' ' ARG . . . . . . . . . . . . . 88.6 mtm180 42.46 -104.44 0.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.492 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 148' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -83.85 145.08 28.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.575 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 90.6 mtm180 -64.29 137.53 57.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.619 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 150' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.452 0 CA-C-O 117.941 -1.028 . . . . 0.0 110.612 179.949 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.5 ptt? . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 1.035 ' OD1' ' N ' ' A' ' 3' ' ' GLY . 51.2 p-10 -61.21 -58.55 7.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.633 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 1.035 ' N ' ' OD1' ' A' ' 2' ' ' ASP . . . 80.69 -48.81 3.77 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 58.4 m -119.86 -38.41 2.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.748 0.309 . . . . 0.0 110.56 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 156.7 -169.41 33.99 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.973 ' O ' ' HB3' ' A' ' 7' ' ' GLN . 2.8 tp10 -141.41 103.39 4.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.786 0.327 . . . . 0.0 110.538 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.973 ' HB3' ' O ' ' A' ' 6' ' ' GLU . 7.4 tt0 115.33 28.37 0.0 OUTLIER Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.505 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.918 ' CD ' ' H ' ' A' ' 7' ' ' GLN . 54.3 Cg_endo -73.66 101.95 1.44 Allowed 'Trans proline' 0 C--N 1.305 -1.715 0 C-N-CA 122.838 2.359 . . . . 0.0 112.078 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 18.9 mtp180 -52.3 172.19 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.496 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 1.27 ' O ' ' N ' ' A' ' 12' ' ' GLY . . . -83.39 -23.08 55.32 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.644 ' C ' ' O ' ' A' ' 10' ' ' GLY . . . 6.11 -42.08 0.0 OUTLIER Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.779 -0.928 . . . . 0.0 110.779 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 1.27 ' N ' ' O ' ' A' ' 10' ' ' GLY . . . -154.91 137.43 5.64 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.685 ' O ' ' C ' ' A' ' 14' ' ' THR . 50.4 Cg_exo -47.77 -92.63 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.757 0 C-N-CA 122.842 2.361 . . . . 0.0 112.252 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.685 ' C ' ' O ' ' A' ' 13' ' ' PRO . 57.7 p -1.87 83.31 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.671 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.942 ' O ' ' CD1' ' A' ' 19' ' ' ILE . 3.0 p -118.42 -148.63 0.42 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.391 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.487 ' H ' ' HB2' ' A' ' 15' ' ' SER . 50.6 m -98.69 -17.28 18.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.435 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 64.2 mm-40 -77.67 -48.62 16.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.54 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.481 ' O ' HG23 ' A' ' 22' ' ' THR . 94.5 mt-30 -67.43 -22.58 65.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.567 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.942 ' CD1' ' O ' ' A' ' 15' ' ' SER . 64.5 mt -81.99 -54.76 9.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.614 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 26.5 ttt -53.88 -36.52 62.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.576 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 38.4 mmtm -67.31 -45.96 74.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.53 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.481 HG23 ' O ' ' A' ' 18' ' ' GLN . 66.7 p -72.36 -8.35 54.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.585 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -79.17 -54.1 4.21 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.19 -9.35 59.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.836 0.351 . . . . 0.0 110.536 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.547 ' O ' ' C ' ' A' ' 26' ' ' LEU . 31.6 mt -86.71 -80.45 0.24 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.62 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.547 ' C ' ' O ' ' A' ' 25' ' ' LEU . 44.9 tp -27.11 -65.62 0.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.642 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.415 ' C ' ' N ' ' A' ' 29' ' ' GLY . 64.0 mt -51.32 -57.7 8.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.617 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.408 ' O ' ' NE2' ' A' ' 28' ' ' GLN . 6.4 tm0? -47.65 -17.95 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.557 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.542 ' O ' ' N ' ' A' ' 31' ' ' ILE . . . -88.77 -72.65 1.28 Allowed Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 41.4 t80 -42.28 -18.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.809 0.338 . . . . 0.0 110.571 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.542 ' N ' ' O ' ' A' ' 29' ' ' GLY . 70.7 mt -77.06 -69.13 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.575 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 41.1 tt0 -78.94 30.0 0.2 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.595 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.413 ' H ' ' C ' ' A' ' 31' ' ' ILE . 97.8 m-20 -112.92 -51.05 2.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.606 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 15.7 ptm180 -91.17 -27.02 18.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.62 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.473 ' CB ' HD22 ' A' ' 122' ' ' LEU . . . -99.22 -12.88 20.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.559 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -58.75 132.52 52.59 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 92.3 mtt180 -83.51 145.07 29.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.751 0.31 . . . . 0.0 110.579 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 56.4 ttp -96.57 121.83 38.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.541 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 76.91 14.89 82.14 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -83.93 -171.88 48.29 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.471 ' O ' ' HB2' ' A' ' 42' ' ' ALA . 76.7 tt0 -162.06 76.57 0.48 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.88 0.372 . . . . 0.0 110.617 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.79 ' H ' ' HD3' ' A' ' 43' ' ' PRO . . . 174.79 47.98 0.02 OUTLIER Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.644 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.79 ' HD3' ' H ' ' A' ' 42' ' ' ALA . 51.8 Cg_exo -48.33 118.75 3.46 Favored 'Trans proline' 0 C--N 1.306 -1.692 0 C-N-CA 122.81 2.34 . . . . 0.0 112.092 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -93.03 -8.66 42.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.616 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.427 ' HA ' HD22 ' A' ' 45' ' ' LEU . 0.2 OUTLIER -107.19 66.19 0.67 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.638 179.95 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -74.27 137.97 43.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.579 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.461 ' HA ' HD12 ' A' ' 47' ' ' LEU . 22.7 tp -174.34 -81.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.608 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.638 ' N ' ' HD3' ' A' ' 49' ' ' PRO . 27.6 p-10 -161.77 54.79 0.54 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.642 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.638 ' HD3' ' N ' ' A' ' 48' ' ' ASP . 27.3 Cg_exo -58.29 58.31 0.05 OUTLIER 'Trans proline' 0 C--N 1.306 -1.667 0 C-N-CA 122.806 2.337 . . . . 0.0 111.976 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.622 ' N ' ' O ' ' A' ' 48' ' ' ASP . 2.9 m -150.15 53.38 1.25 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.661 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.604 ' HD3' ' N ' ' A' ' 50' ' ' VAL . 50.2 Cg_exo -51.05 162.91 0.96 Allowed 'Trans proline' 0 C--N 1.305 -1.744 0 C-N-CA 122.772 2.315 . . . . 0.0 112.023 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 69.2 tp60 -141.7 -36.92 0.42 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.575 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 43.2 p-10 -87.91 133.84 33.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.546 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -81.39 -0.95 43.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.542 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 68.8 m -61.38 -39.85 92.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.543 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 73.7 p -83.37 -33.8 25.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.529 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 64.4 tttp -49.87 -54.73 17.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.594 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 29.9 ttpt -59.81 -48.07 83.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.601 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.62 HD23 ' O ' ' A' ' 59' ' ' LEU . 0.8 OUTLIER -61.6 -26.13 67.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.601 179.916 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.5 t -71.57 -35.24 70.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.529 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.466 ' CD ' ' NH2' ' A' ' 65' ' ' ARG . 43.6 tt0 -64.18 -31.49 72.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.566 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.417 ' O ' HG22 ' A' ' 66' ' ' ILE . 99.7 m -64.42 -37.76 88.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.548 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.472 HD12 ' N ' ' A' ' 63' ' ' LEU . 9.6 mp -75.47 -24.54 56.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.543 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -84.31 -36.58 22.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.637 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.466 ' NH2' ' CD ' ' A' ' 61' ' ' GLU . 99.4 mtt180 -68.54 -44.56 74.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.528 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.417 HG22 ' O ' ' A' ' 62' ' ' CYS . 20.5 tt -76.37 -35.11 26.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.544 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.425 ' O ' ' CB ' ' A' ' 71' ' ' ASP . . . -61.03 -45.46 96.56 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -62.68 -34.32 76.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.84 0.352 . . . . 0.0 110.601 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 50.6 tp10 -79.64 -58.49 3.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.557 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.21 -43.0 74.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.526 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.425 ' CB ' ' O ' ' A' ' 67' ' ' GLY . 54.7 t0 -65.09 -8.77 18.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.56 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 7.4 t -96.41 7.13 47.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.525 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -92.96 111.48 23.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.566 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 96.8 mmm -68.37 -11.1 59.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.592 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -80.36 -67.28 0.78 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.571 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.6 tp -59.82 -40.37 88.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.523 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 8.3 tm0? -61.74 -37.92 86.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.588 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 72.4 ttt180 -68.57 -44.9 73.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.548 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.432 ' SD ' HG23 ' A' ' 182' ' ' THR . 64.0 mtp -54.49 -43.91 72.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.584 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.643 ' O ' HG12 ' A' ' 83' ' ' VAL . 86.2 mt -62.35 -23.72 32.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.598 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -85.95 -18.81 31.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.627 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -86.37 -15.46 40.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.62 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.874 HG13 ' O ' ' A' ' 83' ' ' VAL . 8.1 p -89.34 82.75 2.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.583 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.423 ' O ' ' O ' ' A' ' 83' ' ' VAL . 56.5 p-10 -40.58 162.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.513 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 75.0 p -119.64 120.01 35.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.659 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -148.95 -0.22 0.52 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.488 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.686 ' O ' HG12 ' A' ' 91' ' ' VAL . 40.4 t -175.82 88.25 0.29 Allowed Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.458 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.5 ' O ' ' CB ' ' A' ' 92' ' ' PHE . 36.7 Cg_endo -68.79 -15.64 40.87 Favored 'Trans proline' 0 C--N 1.306 -1.684 0 C-N-CA 122.793 2.328 . . . . 0.0 112.092 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 15.0 ptt-85 -86.0 -34.19 20.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.551 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -79.3 -57.44 3.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.602 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.686 HG12 ' O ' ' A' ' 87' ' ' SER . 9.7 p -57.51 -51.19 72.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.527 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.654 ' N ' HG13 ' A' ' 91' ' ' VAL . 85.3 t80 -46.17 -52.16 12.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.479 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -67.84 -30.47 69.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.6 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 16.2 tpp180 -71.46 -57.97 3.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.581 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.625 HG23 ' N ' ' A' ' 96' ' ' ALA . 27.5 m -59.34 -48.07 88.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.534 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.625 ' N ' HG23 ' A' ' 95' ' ' VAL . . . -55.15 -27.65 47.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.522 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -81.85 -38.92 24.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.561 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 99' ' ' MET . 99.5 m-20 -63.17 -38.68 92.13 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.53 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . 0.559 ' HB2' HH21 ' A' ' 109' ' ' ARG . 64.2 mtt -38.42 -68.79 0.14 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.605 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.601 ' CD2' ' O ' ' A' ' 100' ' ' PHE . 16.8 p90 -111.37 57.6 0.63 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.535 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.1 t -74.7 -26.86 60.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.557 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.532 ' O ' ' C ' ' A' ' 103' ' ' GLY . 55.1 p-10 -155.57 -18.39 0.11 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.533 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.532 ' C ' ' O ' ' A' ' 102' ' ' ASP . . . -26.32 -80.65 0.01 OUTLIER Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . 0.608 ' O ' ' CG ' ' A' ' 105' ' ' PHE . 10.9 m-20 174.5 34.38 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.785 0.326 . . . . 0.0 110.514 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.608 ' CG ' ' O ' ' A' ' 104' ' ' ASN . 31.8 p90 42.64 29.07 0.14 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.564 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.519 ' O ' ' HB2' ' A' ' 107' ' ' TRP . 28.4 p30 -52.12 -110.44 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.615 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' TRP . . . . . 0.543 ' NE1' HG21 ' A' ' 110' ' ' VAL . 6.5 t90 174.64 -26.2 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.549 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.598 ' O ' HG12 ' A' ' 111' ' ' VAL . . . -50.11 -42.07 39.4 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.559 HH21 ' HB2' ' A' ' 99' ' ' MET . 0.0 OUTLIER -48.24 -26.04 1.79 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.756 0.312 . . . . 0.0 110.511 -179.947 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.543 HG21 ' NE1' ' A' ' 107' ' ' TRP . 36.0 t -52.52 -57.94 3.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.536 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.598 HG12 ' O ' ' A' ' 108' ' ' GLY . 4.8 p -45.29 -46.66 3.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.577 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.581 ' N ' HG13 ' A' ' 111' ' ' VAL . . . -58.11 -35.18 71.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.514 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.663 ' O ' HD23 ' A' ' 113' ' ' LEU . 2.0 tt -56.86 -46.7 81.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.566 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.45 ' CZ ' ' CG1' ' A' ' 110' ' ' VAL . 9.9 m-85 -57.17 -44.1 83.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.529 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 92.9 t80 -68.07 -43.62 78.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.534 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.451 ' CE2' HG21 ' A' ' 95' ' ' VAL . 93.2 t80 -59.05 -41.81 88.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.541 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.508 ' O ' HG23 ' A' ' 121' ' ' VAL . . . -71.04 -32.5 69.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.52 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 5.6 t -48.64 -44.27 37.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.56 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.808 ' O ' ' CB ' ' A' ' 123' ' ' LYS . 56.4 mmtt -59.85 -43.68 94.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.566 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 52.2 mt -68.19 -30.95 70.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.582 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.732 HG13 HG23 ' A' ' 133' ' ' ILE . 54.0 t -77.43 -53.14 15.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.638 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.473 HD22 ' CB ' ' A' ' 35' ' ' ALA . 74.0 mt -73.25 -40.81 64.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.517 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.808 ' CB ' ' O ' ' A' ' 119' ' ' LYS . 14.5 tmtt? -58.22 -41.16 83.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.543 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -75.71 -20.81 58.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.607 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 5.0 tp -64.15 -30.87 71.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.583 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . 0.467 ' SG ' ' N ' ' A' ' 127' ' ' THR . 14.6 p -84.22 -35.96 23.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.616 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.551 ' O ' ' CB ' ' A' ' 128' ' ' LYS . 52.3 m -54.26 -16.19 2.0 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.564 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.551 ' CB ' ' O ' ' A' ' 127' ' ' THR . 44.1 tttp 84.46 46.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.555 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.492 HG23 ' O ' ' A' ' 129' ' ' VAL . 15.5 m -148.18 88.7 5.38 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.58 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -71.17 -14.48 31.68 Favored 'Trans proline' 0 C--N 1.304 -1.769 0 C-N-CA 122.793 2.329 . . . . 0.0 112.048 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -64.59 -41.02 96.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.533 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 9.2 mp -61.08 -33.99 74.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.528 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.732 HG23 HG13 ' A' ' 121' ' ' VAL . 21.4 mm -56.99 -49.98 77.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.48 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 82.6 mtp180 -69.33 -34.68 74.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.493 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 7.2 m -67.34 -31.96 72.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.453 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.415 HG21 ' CG2' ' A' ' 121' ' ' VAL . 46.6 mt -69.71 -58.7 4.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.571 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . 0.492 ' CE ' HD11 ' A' ' 31' ' ' ILE . 28.5 mmt -46.62 -25.53 0.73 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.493 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -68.61 -40.5 85.87 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' TRP . . . . . 0.519 ' CD1' ' N ' ' A' ' 139' ' ' TRP . 11.3 m0 -66.31 -24.53 66.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.791 0.329 . . . . 0.0 110.478 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' THR . . . . . 0.478 ' OG1' ' N ' ' A' ' 141' ' ' LEU . 20.4 p -75.48 -65.84 0.85 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.556 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.478 ' N ' ' OG1' ' A' ' 140' ' ' THR . 52.9 mt -51.78 -33.58 35.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.561 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -65.81 -51.02 62.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.532 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . 0.432 ' O ' ' HB2' ' A' ' 147' ' ' ARG . 5.6 t80 -66.8 -38.93 87.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.57 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.566 HD12 ' HB2' ' A' ' 148' ' ' LEU . 1.7 tp -71.01 -35.6 72.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.532 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 58.8 ttp180 -82.96 -10.63 58.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.593 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 69.2 mm-40 -112.05 -4.59 14.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.602 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . 1.152 ' O ' ' N ' ' A' ' 149' ' ' LEU . 11.9 mtp180 -142.19 -110.89 0.13 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.576 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . 0.812 ' H ' HD22 ' A' ' 148' ' ' LEU . 1.0 OUTLIER -15.44 -27.74 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.553 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . 1.152 ' N ' ' O ' ' A' ' 147' ' ' ARG . 1.1 tt -49.14 -56.23 9.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.539 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -63.92 -50.52 60.4 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 151' ' ' TRP . . . . . . . . . . . . . 99.2 m95 -66.47 -55.68 14.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.785 0.326 . . . . 0.0 110.552 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 152' ' ' ILE . . . . . 0.697 ' N ' ' O ' ' A' ' 148' ' ' LEU . 10.3 tt -51.41 -34.31 15.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.538 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . 0.419 ' CD ' ' CD2' ' A' ' 149' ' ' LEU . 6.9 mt-30 -67.42 -31.4 71.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.591 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -88.81 -4.7 58.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.62 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -97.46 0.84 48.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.581 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 83.56 24.72 49.48 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 89.88 -160.4 28.64 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.816 -0.914 . . . . 0.0 110.816 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 158' ' ' TRP . . . . . 0.429 ' CD1' HD11 ' A' ' 152' ' ' ILE . 39.4 m95 -73.95 -5.59 42.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.888 0.375 . . . . 0.0 110.651 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 67.4 t0 -60.93 -42.41 98.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.619 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -54.41 -32.26 52.07 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . 0.579 HD23 ' O ' ' A' ' 161' ' ' LEU . 2.1 tt -62.85 -54.0 45.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.864 0.364 . . . . 0.0 110.624 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 51.2 tp -67.12 -31.06 71.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.52 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 5.0 t -66.81 -26.37 66.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.537 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 93.9 t80 -76.46 -42.67 42.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.588 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -71.7 47.92 0.14 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.599 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -130.8 39.12 1.83 Allowed Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 167' ' ' THR . . . . . 1.063 ' OG1' ' HD2' ' A' ' 168' ' ' PRO . 0.6 OUTLIER -108.61 -179.67 0.72 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 120.912 0.387 . . . . 0.0 110.567 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 168' ' ' PRO . . . . . 1.063 ' HD2' ' OG1' ' A' ' 167' ' ' THR . 55.2 Cg_endo -73.73 -146.35 0.03 OUTLIER 'Trans proline' 0 C--N 1.305 -1.733 0 C-N-CA 122.811 2.34 . . . . 0.0 112.12 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 169' ' ' THR . . . . . 0.595 ' C ' ' O ' ' A' ' 168' ' ' PRO . 21.4 p -22.29 101.03 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.618 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 170' ' ' TRP . . . . . 0.688 ' O ' HG22 ' A' ' 173' ' ' VAL . 27.3 p90 -64.69 -18.62 65.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.53 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 171' ' ' GLN . . . . . 0.54 ' NE2' ' OG1' ' A' ' 172' ' ' THR . 5.4 pp0? -47.26 -14.11 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.53 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 172' ' ' THR . . . . . 0.54 ' OG1' ' NE2' ' A' ' 171' ' ' GLN . 4.6 m -86.92 -29.54 22.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.554 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 173' ' ' VAL . . . . . 0.688 HG22 ' O ' ' A' ' 170' ' ' TRP . 2.0 m -72.15 -45.7 61.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.462 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 174' ' ' THR . . . . . 0.566 ' N ' ' CG2' ' A' ' 173' ' ' VAL . 25.0 m -64.53 -24.94 67.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.554 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 175' ' ' ILE . . . . . 0.522 HG22 ' O ' ' A' ' 172' ' ' THR . 1.7 tt -85.77 -7.43 10.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.587 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 176' ' ' PHE . . . . . 0.489 ' O ' HG12 ' A' ' 180' ' ' VAL . 63.4 t80 -94.65 -60.14 1.77 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.529 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 3.2 m -62.05 -16.72 16.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.553 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 178' ' ' ALA . . . . . 0.621 ' O ' ' OG1' ' A' ' 182' ' ' THR . . . -95.55 -45.93 6.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.587 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -62.29 -26.16 67.51 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 180' ' ' VAL . . . . . 0.699 HG13 ' N ' ' A' ' 181' ' ' LEU . 14.0 p -86.32 -51.66 12.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.84 0.352 . . . . 0.0 110.588 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . 0.699 ' N ' HG13 ' A' ' 180' ' ' VAL . 45.9 tp -69.35 -47.97 62.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.549 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 182' ' ' THR . . . . . 0.621 ' OG1' ' O ' ' A' ' 178' ' ' ALA . 26.3 m -50.5 -51.4 47.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.536 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -47.33 -45.74 24.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.558 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 184' ' ' SER . . . . . . . . . . . . . 27.1 t -54.37 -37.92 65.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.595 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 58.3 mt -77.66 -21.69 51.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.591 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 21.3 m -73.21 -44.87 58.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.571 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 187' ' ' ILE . . . . . 0.636 HG23 ' N ' ' A' ' 188' ' ' TRP . 12.3 tt -73.66 -51.59 24.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.57 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 188' ' ' TRP . . . . . 0.636 ' N ' HG23 ' A' ' 187' ' ' ILE . 0.2 OUTLIER -30.8 -56.9 0.22 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.513 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 7.8 mmtt -175.8 128.24 0.24 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.585 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 190' ' ' LYS . . . . . . . . . . . . . 17.7 pttm -109.87 89.61 3.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.545 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 191' ' ' MET . . . . . . . . . . . . . 82.3 mtp -128.6 136.55 50.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.559 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.738 0 CA-C-O 117.968 -1.462 . . . . 0.0 110.982 179.941 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 130' ' ' CYS . . . . . 0.474 ' O ' ' SG ' ' B' ' 130' ' ' CYS . 53.8 t . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 131' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -72.01 -42.39 66.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.596 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -153.0 87.02 1.26 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.615 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 133' ' ' LEU . . . . . 0.49 HD22 ' N ' ' B' ' 133' ' ' LEU . 4.4 mm? 56.62 52.89 9.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.526 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 134' ' ' LYS . . . . . 0.481 ' HB3' ' O ' ' B' ' 133' ' ' LEU . 64.2 tttm 67.25 -83.66 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.589 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 135' ' ' LYS . . . . . 0.411 ' CG ' ' O ' ' B' ' 134' ' ' LYS . 51.9 mtmt -158.19 134.58 9.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.58 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 136' ' ' ALA . . . . . . . . . . . . . . . -72.69 143.78 47.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.575 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 40.6 mt -83.67 80.35 9.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.606 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 138' ' ' ARG . . . . . . . . . . . . . 83.4 mtt85 -63.89 -34.16 77.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.609 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 139' ' ' ARG . . . . . . . . . . . . . 83.5 mtp180 -61.81 -45.04 95.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.537 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 140' ' ' HIS . . . . . 0.703 ' O ' ' N ' ' B' ' 143' ' ' LEU . 60.7 m80 -78.8 -66.34 0.87 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.495 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 141' ' ' ARG . . . . . 0.493 ' C ' ' O ' ' B' ' 140' ' ' HIS . 72.0 ttp85 -31.85 -33.91 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.49 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 142' ' ' PHE . . . . . 0.57 ' N ' ' O ' ' B' ' 140' ' ' HIS . 12.9 t80 -90.08 -33.26 16.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.544 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 143' ' ' LEU . . . . . 0.703 ' N ' ' O ' ' B' ' 140' ' ' HIS . 33.3 tp -54.31 -36.68 63.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.514 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 144' ' ' TRP . . . . . 0.484 ' O ' ' C ' ' B' ' 145' ' ' GLN . 66.2 t-105 -84.69 -56.63 3.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.561 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 145' ' ' GLN . . . . . 0.484 ' C ' ' O ' ' B' ' 144' ' ' TRP . 13.1 tm0? -32.99 -65.11 0.17 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.562 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 146' ' ' ARG . . . . . 0.471 ' HG2' ' H ' ' B' ' 148' ' ' GLN . 62.5 ttm-85 -57.03 141.67 44.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.529 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 147' ' ' ARG . . . . . . . . . . . . . 85.9 mtm-85 -54.61 -42.06 70.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.538 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 148' ' ' GLN . . . . . 0.476 ' C ' ' N ' ' B' ' 150' ' ' ALA . 43.5 mm-40 49.7 37.54 13.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.568 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 21.2 mmt85 48.01 13.89 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.597 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 150' ' ' ALA . . . . . 0.476 ' N ' ' C ' ' B' ' 148' ' ' GLN . . . . . . . . 0 C--O 1.22 -0.46 0 CA-C-O 117.971 -1.014 . . . . 0.0 110.546 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.6 ptt? . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.51 ' OD1' ' N ' ' A' ' 3' ' ' GLY . 41.7 p-10 -74.87 -33.12 62.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.548 -146.601 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.51 ' N ' ' OD1' ' A' ' 2' ' ' ASP . . . 67.58 -68.04 0.27 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 -153.785 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 15.1 m -160.26 -35.2 0.05 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.814 0.34 . . . . 0.0 110.646 -119.27 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 179.53 179.78 48.79 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 126.523 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -73.06 133.82 44.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.799 0.333 . . . . 0.0 110.65 125.168 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 58.71 72.63 0.81 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.606 167.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -47.26 155.76 1.05 Allowed 'Trans proline' 0 C--N 1.305 -1.719 0 C-N-CA 122.817 2.344 . . . . 0.0 112.067 122.126 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 85.9 mtp180 -120.99 171.91 8.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.566 118.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 179.85 60.67 0.08 OUTLIER Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 122.572 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -74.03 60.35 2.21 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.986 -0.845 . . . . 0.0 110.986 133.31 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 176.2 31.89 0.04 OUTLIER Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -144.296 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -83.22 -11.77 9.58 Favored 'Trans proline' 0 C--N 1.305 -1.754 0 C-N-CA 122.768 2.312 . . . . 0.0 112.112 -105.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 64.1 p -75.81 78.53 2.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.537 -172.122 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 88.6 p -165.27 173.66 11.01 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.528 -149.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 70.0 m -74.88 -6.95 51.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.548 -151.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -92.85 -47.3 7.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.572 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 44.4 tp60 -64.09 -27.93 69.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.566 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 85.2 mt -79.04 -53.26 13.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.483 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.456 ' C ' ' SD ' ' A' ' 20' ' ' MET . 2.1 tmt? -55.65 -35.85 66.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.466 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.443 ' O ' ' HB2' ' A' ' 25' ' ' LEU . 16.9 ttmm -68.08 -45.11 74.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.48 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.437 HG22 ' O ' ' A' ' 22' ' ' THR . 37.7 m -72.82 -9.37 58.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.572 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -78.57 -53.83 4.52 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.568 ' O ' ' NE2' ' A' ' 28' ' ' GLN . . . -78.14 -9.47 59.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.885 0.374 . . . . 0.0 110.453 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.551 ' O ' ' C ' ' A' ' 26' ' ' LEU . 1.7 mp -86.96 -80.4 0.25 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.482 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.551 ' C ' ' O ' ' A' ' 25' ' ' LEU . 1.2 tt -27.11 -65.61 0.07 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.539 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.841 ' O ' HG13 ' A' ' 31' ' ' ILE . 0.4 OUTLIER -51.38 -58.34 6.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.541 179.922 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.64 ' HA ' HD12 ' A' ' 31' ' ' ILE . 0.4 OUTLIER -47.0 -17.44 0.05 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.427 179.922 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.564 ' O ' ' N ' ' A' ' 31' ' ' ILE . . . -89.45 -73.39 1.28 Allowed Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.871 -0.892 . . . . 0.0 110.871 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 44.4 t80 -41.59 -18.77 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.846 0.355 . . . . 0.0 110.48 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.841 HG13 ' O ' ' A' ' 27' ' ' LEU . 74.7 mt -76.96 -69.95 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.47 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.687 ' CB ' HD13 ' A' ' 45' ' ' LEU . 16.7 pt20 -78.41 30.48 0.18 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.567 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.423 ' H ' ' C ' ' A' ' 31' ' ' ILE . 67.2 t0 -113.41 -51.13 2.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.517 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 -91.32 -26.92 18.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.639 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.474 ' CB ' HD22 ' A' ' 122' ' ' LEU . . . -98.89 -13.1 20.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.601 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -75.65 -19.88 78.76 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.568 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 63.4 ttm-85 -62.06 -39.35 92.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.753 0.311 . . . . 0.0 110.483 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 97.4 mmm -65.33 -37.21 86.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.661 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 75.27 -99.32 1.18 Allowed Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.639 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 67.33 -126.84 25.95 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.859 -0.896 . . . . 0.0 110.859 -179.608 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -60.16 146.14 44.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.754 0.311 . . . . 0.0 110.555 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -39.7 155.75 0.16 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.54 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -43.6 106.42 0.08 OUTLIER 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.811 2.341 . . . . 0.0 112.09 -179.23 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -84.21 -12.58 54.58 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.526 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.745 ' CD2' HG22 ' A' ' 31' ' ' ILE . 0.0 OUTLIER -97.45 65.25 1.92 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.579 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -76.95 135.96 38.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.555 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.589 HD23 ' N ' ' A' ' 47' ' ' LEU . 1.4 pt? -158.86 -144.07 0.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.57 179.152 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -131.58 82.32 61.63 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.605 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 5.3 Cg_exo -77.2 46.73 2.04 Favored 'Trans proline' 0 C--N 1.305 -1.728 0 C-N-CA 122.809 2.339 . . . . 0.0 112.059 179.417 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.694 ' N ' ' CD ' ' A' ' 51' ' ' PRO . 0.6 OUTLIER -71.72 -39.1 6.87 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.574 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.694 ' CD ' ' N ' ' A' ' 50' ' ' VAL . 3.8 Cg_exo -74.73 157.54 43.82 Favored 'Trans proline' 0 C--N 1.304 -1.78 0 C-N-CA 122.864 2.376 . . . . 0.0 112.174 179.451 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -149.81 21.37 0.9 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.513 -179.076 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -58.41 143.88 43.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.575 179.315 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -86.04 -1.98 57.88 Favored 'General case' 0 C--N 1.347 0.477 0 O-C-N 120.018 -1.676 . . . . 0.0 110.497 -176.609 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 70.5 m -59.23 -39.99 84.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.562 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 74.3 p -81.61 -34.02 31.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.533 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 58.4 mmtt -50.18 -54.89 17.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.553 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 30.3 ttpt -59.84 -47.73 84.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.567 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.3 mt -61.88 -26.53 68.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.64 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.6 t -71.15 -35.4 71.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.546 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -63.81 -31.88 73.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.525 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.431 ' O ' HG22 ' A' ' 66' ' ' ILE . 94.5 m -64.07 -37.88 89.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.586 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.412 HD12 ' N ' ' A' ' 63' ' ' LEU . 7.6 mp -75.24 -24.56 57.69 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.597 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -84.4 -36.47 22.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.572 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.44 ' O ' ' OE2' ' A' ' 69' ' ' GLU . 99.7 mtt180 -68.76 -44.35 73.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.473 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.431 HG22 ' O ' ' A' ' 62' ' ' CYS . 20.5 tt -76.62 -35.04 24.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.501 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.43 ' O ' ' CB ' ' A' ' 71' ' ' ASP . . . -61.03 -45.43 96.63 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.951 -0.859 . . . . 0.0 110.951 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 47.6 t0 -62.86 -34.18 76.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.792 0.33 . . . . 0.0 110.591 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.544 ' N ' ' OE1' ' A' ' 69' ' ' GLU . 0.3 OUTLIER -79.62 -58.84 2.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.525 179.924 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -54.81 -43.27 72.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.481 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.43 ' CB ' ' O ' ' A' ' 67' ' ' GLY . 38.9 t70 -64.97 -8.61 16.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.623 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.7 t -96.65 7.31 46.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.499 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -93.27 111.28 22.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.614 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 8.7 ptm -67.92 -11.73 59.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.582 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 80.3 tt0 -79.93 -67.28 0.78 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.595 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 8.1 tp -59.8 -40.29 87.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.601 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.717 HE22 ' HZ2' ' A' ' 119' ' ' LYS . 69.4 tp60 -61.92 -37.77 85.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.477 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 75.1 ttt180 -68.66 -44.73 73.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.517 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.478 ' SD ' HG23 ' A' ' 182' ' ' THR . 73.4 mtp -54.69 -43.94 72.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.566 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.651 ' O ' HG12 ' A' ' 83' ' ' VAL . 83.7 mt -62.18 -24.16 33.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.637 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -85.34 -19.03 32.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.538 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -86.4 -15.5 40.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.593 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.852 HG13 ' O ' ' A' ' 83' ' ' VAL . 8.1 p -89.61 84.39 2.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.56 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 55.0 p-10 -44.52 159.97 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.628 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.444 ' O ' ' OD1' ' A' ' 86' ' ' ASP . 66.9 p -116.56 127.69 54.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.586 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.444 ' OD1' ' O ' ' A' ' 85' ' ' THR . 69.1 m-20 -156.86 1.7 0.13 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.63 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.456 ' O ' HG12 ' A' ' 91' ' ' VAL . 37.9 t -175.87 71.55 0.26 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.603 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.582 ' O ' ' CB ' ' A' ' 92' ' ' PHE . 2.7 Cg_endo -49.96 -27.44 16.37 Favored 'Trans proline' 0 C--N 1.305 -1.755 0 C-N-CA 122.767 2.312 . . . . 0.0 111.994 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.502 ' CG ' ' N ' ' A' ' 90' ' ' GLU . 34.5 ptt-85 -75.27 -44.31 46.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.592 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.502 ' N ' ' CG ' ' A' ' 89' ' ' ARG . 94.2 mt-10 -67.02 -62.85 1.22 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.548 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.705 HG13 ' N ' ' A' ' 92' ' ' PHE . 10.5 p -52.97 -54.53 16.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.518 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.705 ' N ' HG13 ' A' ' 91' ' ' VAL . 82.8 t80 -42.67 -55.83 3.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.589 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -64.73 -31.71 73.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.554 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 11.6 tpp85 -69.9 -59.09 3.14 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.495 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.638 HG23 ' N ' ' A' ' 96' ' ' ALA . 27.5 m -58.54 -48.71 84.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.542 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.638 ' N ' HG23 ' A' ' 95' ' ' VAL . . . -54.18 -27.74 35.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.588 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -81.93 -39.19 24.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.547 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.413 ' O ' ' C ' ' A' ' 99' ' ' MET . 99.8 m-20 -62.78 -38.97 92.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.612 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . 0.544 ' HB2' HH21 ' A' ' 109' ' ' ARG . 63.5 mtt -37.97 -69.28 0.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.568 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.604 ' CD2' ' O ' ' A' ' 100' ' ' PHE . 16.3 p90 -111.07 57.84 0.62 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.521 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.2 t -74.91 -26.88 59.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.563 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.538 ' O ' ' C ' ' A' ' 103' ' ' GLY . 55.3 p-10 -155.55 -18.47 0.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.547 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.538 ' C ' ' O ' ' A' ' 102' ' ' ASP . . . -26.19 -80.76 0.01 OUTLIER Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . 0.61 ' O ' ' CG ' ' A' ' 105' ' ' PHE . 8.3 m-20 174.48 34.21 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.764 0.316 . . . . 0.0 110.523 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.61 ' CG ' ' O ' ' A' ' 104' ' ' ASN . 28.4 p90 42.72 29.5 0.17 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.554 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.531 ' O ' ' HB2' ' A' ' 107' ' ' TRP . 28.5 p30 -52.29 -110.21 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.53 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' TRP . . . . . 0.531 ' HB2' ' O ' ' A' ' 106' ' ' ASN . 6.7 t90 174.25 -26.14 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.505 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.587 ' O ' HG12 ' A' ' 111' ' ' VAL . . . -50.37 -42.07 41.58 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.544 HH21 ' HB2' ' A' ' 99' ' ' MET . 0.0 OUTLIER -48.31 -25.36 1.53 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.808 0.337 . . . . 0.0 110.586 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.52 HG21 ' NE1' ' A' ' 107' ' ' TRP . 36.5 t -53.3 -57.61 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.566 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.587 HG12 ' O ' ' A' ' 108' ' ' GLY . 4.7 p -45.51 -46.82 4.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.567 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.581 ' N ' HG13 ' A' ' 111' ' ' VAL . . . -58.28 -34.1 70.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.534 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.697 ' O ' HD23 ' A' ' 113' ' ' LEU . 2.2 tt -57.87 -46.01 85.47 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.519 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.411 ' CD2' ' HG ' ' A' ' 27' ' ' LEU . 3.2 m-85 -58.02 -43.4 86.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.58 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 89.8 t80 -68.76 -42.19 77.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.538 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.455 ' CE2' HG21 ' A' ' 95' ' ' VAL . 92.3 t80 -60.23 -41.31 92.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.551 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.551 ' O ' HG23 ' A' ' 121' ' ' VAL . . . -72.03 -31.88 66.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.465 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 5.8 t -49.28 -42.62 41.57 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.519 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.818 ' O ' ' CB ' ' A' ' 123' ' ' LYS . 57.3 mmtt -61.87 -43.45 98.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.546 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 50.2 mt -68.44 -28.86 67.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.377 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.63 HG13 HG23 ' A' ' 133' ' ' ILE . 59.3 t -79.12 -54.1 12.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.385 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.474 HD22 ' CB ' ' A' ' 35' ' ' ALA . 68.5 mt -72.48 -40.91 66.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.482 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.818 ' CB ' ' O ' ' A' ' 119' ' ' LYS . 19.8 ttpp -58.13 -40.61 81.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.418 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.478 ' O ' ' OG1' ' A' ' 127' ' ' THR . . . -76.58 -19.83 57.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.458 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 5.6 tt -65.43 -31.03 71.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.575 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . 0.465 ' SG ' ' N ' ' A' ' 127' ' ' THR . 1.6 p -84.92 -33.54 22.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.545 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.664 ' O ' ' HB2' ' A' ' 128' ' ' LYS . 35.8 p -56.23 -21.69 25.0 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.616 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.664 ' HB2' ' O ' ' A' ' 127' ' ' THR . 17.4 mtpp 86.39 53.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.602 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.417 HG13 ' O ' ' A' ' 128' ' ' LYS . 0.1 OUTLIER -154.55 69.65 5.94 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.608 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . 0.406 ' HA ' HG12 ' A' ' 133' ' ' ILE . 1.7 Cg_endo -48.42 -27.91 10.86 Favored 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 122.87 2.38 . . . . 0.0 112.119 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . 0.531 ' O ' HG23 ' A' ' 135' ' ' THR . 80.9 tt0 -51.81 -52.05 51.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.639 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.528 ' HA ' ' OG1' ' A' ' 135' ' ' THR . 8.6 mp -50.32 -35.88 29.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.618 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.63 HG23 HG13 ' A' ' 121' ' ' VAL . 22.5 mm -56.5 -51.0 70.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.785 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 93.9 mtt180 -68.89 -35.23 76.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.604 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . 0.531 HG23 ' O ' ' A' ' 131' ' ' GLU . 69.1 p -66.21 -32.05 73.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.652 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.407 HG21 ' CG2' ' A' ' 121' ' ' VAL . 47.2 mt -69.51 -59.09 3.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.591 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 78.6 mtm -46.06 -25.75 0.63 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.632 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -68.31 -40.73 87.17 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' TRP . . . . . 0.563 ' CD1' ' N ' ' A' ' 139' ' ' TRP . 9.3 m0 -66.12 -24.57 66.71 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.766 0.317 . . . . 0.0 110.599 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' THR . . . . . 0.471 ' OG1' ' N ' ' A' ' 141' ' ' LEU . 22.9 p -75.42 -65.66 0.86 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.515 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.471 ' N ' ' OG1' ' A' ' 140' ' ' THR . 53.8 mt -51.91 -33.58 37.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.581 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -65.81 -51.0 62.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.52 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . 0.413 ' O ' ' HB2' ' A' ' 147' ' ' ARG . 5.2 t80 -66.88 -38.91 87.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.543 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.564 HD12 ' HB2' ' A' ' 148' ' ' LEU . 2.0 tp -70.94 -35.57 72.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.6 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 59.0 ttp180 -82.74 -11.14 58.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.537 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -111.67 -4.83 14.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.56 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . 1.146 ' O ' ' N ' ' A' ' 149' ' ' LEU . 12.1 mtp180 -141.74 -110.56 0.13 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.554 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . 0.795 ' H ' HD22 ' A' ' 148' ' ' LEU . 1.0 OUTLIER -16.05 -27.01 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.612 -179.896 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . 1.146 ' N ' ' O ' ' A' ' 147' ' ' ARG . 48.5 tp -49.72 -55.95 12.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.545 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -64.11 -50.71 58.63 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 151' ' ' TRP . . . . . . . . . . . . . 99.6 m95 -66.11 -55.98 13.73 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.772 0.32 . . . . 0.0 110.501 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 152' ' ' ILE . . . . . 0.685 ' N ' ' O ' ' A' ' 148' ' ' LEU . 10.8 tt -51.32 -34.03 14.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.453 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 47.4 tt0 -67.63 -31.29 71.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.56 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -89.23 -4.01 58.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.488 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -98.12 0.97 47.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.623 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 83.42 24.36 51.17 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 89.89 -160.02 28.34 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . 59.1 m95 -74.22 -5.47 42.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.82 0.343 . . . . 0.0 110.556 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -61.09 -42.47 98.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.518 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -54.69 -31.54 53.46 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . 0.588 HD23 ' O ' ' A' ' 161' ' ' LEU . 2.1 tt -63.55 -53.49 50.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.812 0.339 . . . . 0.0 110.611 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 51.6 tp -67.95 -30.28 69.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.55 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 5.5 t -68.11 -23.76 64.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.629 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 91.1 t80 -80.09 -41.02 26.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.634 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -71.49 50.68 0.17 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.57 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -135.9 42.64 1.31 Allowed Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 167' ' ' THR . . . . . 0.643 ' O ' ' O ' ' A' ' 168' ' ' PRO . 0.5 OUTLIER -111.57 161.57 24.88 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 120.883 0.373 . . . . 0.0 110.534 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 168' ' ' PRO . . . . . 0.643 ' O ' ' O ' ' A' ' 167' ' ' THR . 1.4 Cg_endo -47.72 -136.62 0.0 OUTLIER 'Trans proline' 0 C--N 1.306 -1.707 0 C-N-CA 122.752 2.301 . . . . 0.0 112.074 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 169' ' ' THR . . . . . 0.468 ' H ' HG23 ' A' ' 169' ' ' THR . 10.6 p -38.43 114.15 0.35 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.613 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 170' ' ' TRP . . . . . 0.718 ' O ' HG22 ' A' ' 173' ' ' VAL . 8.3 p90 -71.79 -18.12 62.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.576 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 171' ' ' GLN . . . . . 0.534 ' NE2' ' OG1' ' A' ' 172' ' ' THR . 5.4 pp0? -47.31 -15.89 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.565 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 172' ' ' THR . . . . . 0.534 ' OG1' ' NE2' ' A' ' 171' ' ' GLN . 4.8 m -85.26 -29.45 24.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.543 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 173' ' ' VAL . . . . . 0.718 HG22 ' O ' ' A' ' 170' ' ' TRP . 2.0 m -72.36 -45.6 59.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.614 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 174' ' ' THR . . . . . 0.57 ' N ' ' CG2' ' A' ' 173' ' ' VAL . 24.9 m -64.5 -25.12 67.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.594 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 175' ' ' ILE . . . . . 0.554 ' O ' HG22 ' A' ' 175' ' ' ILE . 90.7 mt -85.59 -7.5 10.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.608 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 176' ' ' PHE . . . . . 0.486 ' O ' HG12 ' A' ' 180' ' ' VAL . 63.9 t80 -94.66 -59.91 1.82 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.536 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 3.1 m -62.35 -16.52 16.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.566 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 178' ' ' ALA . . . . . 0.624 ' O ' ' OG1' ' A' ' 182' ' ' THR . . . -95.77 -45.8 6.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.546 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -62.66 -25.52 67.45 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.909 -0.877 . . . . 0.0 110.909 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 180' ' ' VAL . . . . . 0.696 HG13 ' N ' ' A' ' 181' ' ' LEU . 13.7 p -86.78 -51.51 12.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.782 0.325 . . . . 0.0 110.526 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . 0.696 ' N ' HG13 ' A' ' 180' ' ' VAL . 43.3 tp -69.64 -47.82 62.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.626 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 182' ' ' THR . . . . . 0.624 ' OG1' ' O ' ' A' ' 178' ' ' ALA . 25.9 m -50.51 -51.62 45.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.529 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -47.28 -45.74 24.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.498 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 184' ' ' SER . . . . . . . . . . . . . 28.2 t -54.39 -37.77 65.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.557 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 63.9 mt -77.72 -21.65 51.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.515 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 21.2 m -73.27 -44.98 58.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.541 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 187' ' ' ILE . . . . . 0.644 HG23 ' N ' ' A' ' 188' ' ' TRP . 12.6 tt -73.59 -51.86 23.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.586 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 188' ' ' TRP . . . . . 0.644 ' N ' HG23 ' A' ' 187' ' ' ILE . 0.2 OUTLIER -30.39 -57.33 0.2 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.542 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 8.0 mmtt -175.4 128.42 0.27 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.654 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 190' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.87 89.61 3.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.5 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 191' ' ' MET . . . . . . . . . . . . . 92.6 mtp -128.67 136.51 50.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.573 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.809 0 CA-C-O 117.904 -1.498 . . . . 0.0 110.94 179.96 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 130' ' ' CYS . . . . . . . . . . . . . 26.5 p . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 131' ' ' GLU . . . . . . . . . . . . . 66.9 mm-40 -64.64 -55.75 18.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.564 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -52.71 167.56 0.14 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.502 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 61.1 tp -57.48 -39.96 77.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.617 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 134' ' ' LYS . . . . . . . . . . . . . 50.5 tttm -177.02 -76.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.583 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 135' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -143.33 149.92 38.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.634 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 136' ' ' ALA . . . . . 0.543 ' C ' HD12 ' B' ' 137' ' ' LEU . . . -144.8 134.85 23.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.481 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 137' ' ' LEU . . . . . 0.711 ' H ' ' NH2' ' B' ' 141' ' ' ARG . 7.0 mp -97.46 133.74 41.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.618 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 138' ' ' ARG . . . . . 0.492 ' O ' ' HB2' ' B' ' 142' ' ' PHE . 34.2 mmt180 -89.63 -9.96 47.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.438 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 139' ' ' ARG . . . . . . . . . . . . . 75.4 ttt180 -61.77 -44.65 96.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.561 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 140' ' ' HIS . . . . . 0.692 ' O ' ' N ' ' B' ' 143' ' ' LEU . 31.1 t-80 -79.56 -65.02 1.05 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.545 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 141' ' ' ARG . . . . . 0.711 ' NH2' ' H ' ' B' ' 137' ' ' LEU . 1.2 mpp_? -34.9 -31.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.444 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 142' ' ' PHE . . . . . 0.544 ' N ' ' O ' ' B' ' 140' ' ' HIS . 12.3 m-85 -93.06 -29.13 15.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.504 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 143' ' ' LEU . . . . . 0.692 ' N ' ' O ' ' B' ' 140' ' ' HIS . 33.7 tp -58.75 -34.39 71.33 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.595 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 144' ' ' TRP . . . . . 0.475 ' O ' ' C ' ' B' ' 145' ' ' GLN . 59.7 t-105 -85.63 -55.76 3.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.655 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 145' ' ' GLN . . . . . 0.475 ' C ' ' O ' ' B' ' 144' ' ' TRP . 5.1 tm0? -33.82 -71.49 0.06 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.574 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 146' ' ' ARG . . . . . . . . . . . . . 67.0 ttt180 -93.93 117.67 30.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.661 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 147' ' ' ARG . . . . . . . . . . . . . 43.8 ttm180 -155.53 108.54 2.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.52 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 148' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -72.03 -39.36 69.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.619 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 85.3 mtm-85 -109.31 119.31 39.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.549 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 150' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.476 0 CA-C-O 117.989 -1.005 . . . . 0.0 110.572 -179.989 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.1 ptt? . . . . . 0 N--CA 1.491 1.608 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.941 ' OD1' ' N ' ' A' ' 3' ' ' GLY . 58.4 p-10 -55.85 -55.9 26.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.624 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.941 ' N ' ' OD1' ' A' ' 2' ' ' ASP . . . 83.9 -66.96 3.81 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.984 -0.847 . . . . 0.0 110.984 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 59.5 m -147.08 -23.71 0.4 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.852 0.358 . . . . 0.0 110.531 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 147.69 -179.33 24.67 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.969 ' O ' ' HB3' ' A' ' 7' ' ' GLN . 5.8 tp10 -121.11 107.34 12.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.773 0.32 . . . . 0.0 110.525 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.969 ' HB3' ' O ' ' A' ' 6' ' ' GLU . 5.3 tp-100 98.48 58.81 0.0 OUTLIER Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.516 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.931 ' O ' ' O ' ' A' ' 9' ' ' ARG . 50.4 Cg_exo -48.34 163.05 0.27 Allowed 'Trans proline' 0 C--N 1.304 -1.765 0 C-N-CA 122.831 2.354 . . . . 0.0 112.04 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.931 ' O ' ' O ' ' A' ' 8' ' ' PRO . 29.1 mtp180 -13.01 147.3 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.328 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.674 ' O ' ' C ' ' A' ' 11' ' ' GLY . . . 176.32 0.41 0.03 OUTLIER Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.136 -0.785 . . . . 0.0 111.136 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.674 ' C ' ' O ' ' A' ' 10' ' ' GLY . . . -3.9 74.12 0.0 OUTLIER Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.657 ' N ' ' O ' ' A' ' 10' ' ' GLY . . . -147.54 -73.15 0.01 OUTLIER Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.914 ' O ' ' N ' ' A' ' 15' ' ' SER . 54.4 Cg_exo -46.86 -63.3 0.34 Allowed 'Trans proline' 0 C--N 1.305 -1.739 0 C-N-CA 122.805 2.337 . . . . 0.0 112.246 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.512 ' O ' ' HG2' ' A' ' 153' ' ' GLN . 30.4 p -33.31 -12.99 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.557 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.95 ' O ' HD12 ' A' ' 19' ' ' ILE . 1.3 p 44.1 72.44 0.19 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.542 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 36.2 m -92.31 -21.3 20.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.617 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.1 mm-40 -93.67 -51.12 5.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.612 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -52.33 -36.99 54.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.656 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.95 HD12 ' O ' ' A' ' 15' ' ' SER . 81.8 mt -71.81 -49.17 47.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.654 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.445 ' C ' ' SD ' ' A' ' 20' ' ' MET . 2.1 tmt? -59.25 -36.4 75.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.807 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -68.04 -42.78 80.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.747 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 84.7 m -73.03 -16.46 61.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.665 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -72.31 -54.54 7.72 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.74 -11.04 59.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.733 0.302 . . . . 0.0 110.67 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.666 HD23 ' C ' ' A' ' 25' ' ' LEU . 5.9 tt -86.49 -77.19 0.32 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.624 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.518 ' C ' ' O ' ' A' ' 25' ' ' LEU . 49.4 tp -30.37 -63.88 0.13 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.598 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.7 tp -53.02 -55.86 20.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.592 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.426 ' O ' ' OE1' ' A' ' 28' ' ' GLN . 7.5 tp-100 -49.21 -17.99 0.3 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.569 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.524 ' O ' ' N ' ' A' ' 31' ' ' ILE . . . -88.6 -72.03 1.27 Allowed Glycine 0 CA--C 1.523 0.578 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -42.7 -18.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.75 0.31 . . . . 0.0 110.506 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.524 ' N ' ' O ' ' A' ' 29' ' ' GLY . 87.0 mt -77.02 -68.76 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.577 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -79.17 29.8 0.22 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.572 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.41 ' H ' ' C ' ' A' ' 31' ' ' ILE . 68.4 t0 -112.84 -50.95 2.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.54 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 -91.31 -26.83 18.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.582 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.47 ' CB ' HD22 ' A' ' 122' ' ' LEU . . . -99.17 -12.98 19.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.574 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.534 ' O ' ' N ' ' A' ' 38' ' ' MET . . . -65.22 -35.6 91.82 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 41.99 -91.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.735 0.302 . . . . 0.0 110.514 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.534 ' N ' ' O ' ' A' ' 36' ' ' GLY . 12.1 ptp -138.65 145.58 40.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.559 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 156.02 -124.09 1.42 Allowed Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.69 -9.0 71.26 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -78.58 -31.51 47.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.761 0.315 . . . . 0.0 110.571 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.543 ' N ' ' HD3' ' A' ' 43' ' ' PRO . . . -165.77 54.94 0.36 Allowed Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.558 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.543 ' HD3' ' N ' ' A' ' 42' ' ' ALA . 51.0 Cg_exo -48.45 156.23 1.85 Allowed 'Trans proline' 0 C--N 1.305 -1.742 0 C-N-CA 122.807 2.338 . . . . 0.0 112.124 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.479 ' CD ' HD11 ' A' ' 125' ' ' LEU . 28.7 mt-10 -94.06 -10.76 32.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.511 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 1.031 ' N ' HD22 ' A' ' 45' ' ' LEU . 0.4 OUTLIER -102.73 64.62 0.88 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.544 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.801 ' O ' ' CB ' ' A' ' 47' ' ' LEU . . . -71.95 137.57 47.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.573 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.801 ' CB ' ' O ' ' A' ' 46' ' ' ALA . 35.2 tp 112.49 82.45 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.57 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -175.92 71.16 0.26 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.634 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.709 ' O ' ' O ' ' A' ' 50' ' ' VAL . 50.7 Cg_exo -49.16 158.47 1.42 Allowed 'Trans proline' 0 C--N 1.305 -1.734 0 C-N-CA 122.771 2.314 . . . . 0.0 112.098 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.709 ' O ' ' O ' ' A' ' 49' ' ' PRO . 2.3 m -33.16 167.72 0.01 OUTLIER Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.502 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.654 ' HD2' ' HB ' ' A' ' 50' ' ' VAL . 36.7 Cg_endo -68.63 115.46 3.93 Favored 'Trans proline' 0 C--N 1.305 -1.729 0 C-N-CA 122.795 2.33 . . . . 0.0 112.08 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 93.6 mm-40 -68.64 -45.53 71.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.599 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.437 ' OD1' ' N ' ' A' ' 54' ' ' ALA . 41.6 t0 -154.72 165.88 35.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.534 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.437 ' N ' ' OD1' ' A' ' 53' ' ' ASP . . . -82.48 -3.57 56.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.554 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 38.7 t -57.63 -40.05 78.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.516 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -81.37 -33.76 32.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.525 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 58.8 mmtt -50.69 -54.6 21.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.609 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 30.5 ttpt -60.14 -47.48 85.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.558 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.641 HD23 ' O ' ' A' ' 59' ' ' LEU . 0.9 OUTLIER -62.14 -26.39 68.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.563 179.944 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.7 t -71.3 -35.53 71.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.512 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -63.64 -31.82 73.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.635 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.442 ' O ' HG22 ' A' ' 66' ' ' ILE . 92.7 m -64.18 -37.89 89.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.557 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.485 HD12 ' N ' ' A' ' 63' ' ' LEU . 8.9 mp -75.27 -24.66 57.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.662 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -84.28 -36.63 22.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.577 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.441 ' O ' ' OE2' ' A' ' 69' ' ' GLU . 99.7 mtt180 -68.43 -44.48 74.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.592 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.442 HG22 ' O ' ' A' ' 62' ' ' CYS . 20.7 tt -76.6 -34.99 24.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.542 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.426 ' O ' ' CB ' ' A' ' 71' ' ' ASP . . . -61.01 -45.36 96.77 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.441 ' O ' ' OD1' ' A' ' 68' ' ' ASP . 68.3 t0 -62.84 -34.27 76.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.667 0.27 . . . . 0.0 110.525 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.551 ' N ' ' OE1' ' A' ' 69' ' ' GLU . 0.3 OUTLIER -79.63 -58.49 3.16 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.597 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.19 -43.05 74.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.552 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.426 ' CB ' ' O ' ' A' ' 67' ' ' GLY . 38.9 t70 -65.07 -8.72 17.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.593 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.6 t -96.44 7.08 47.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.565 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -93.0 111.42 23.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.567 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 98.0 mmm -68.26 -11.15 58.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.585 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -80.4 -67.23 0.79 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.587 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 7.5 tp -59.86 -40.26 87.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.569 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 8.8 tm0? -61.83 -37.88 86.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.587 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 71.3 ttt180 -68.51 -44.98 73.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.568 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.485 ' SD ' HG23 ' A' ' 182' ' ' THR . 73.8 mtp -54.42 -43.92 71.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.575 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.644 ' O ' HG12 ' A' ' 83' ' ' VAL . 84.1 mt -62.42 -23.68 32.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.61 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -86.04 -18.74 31.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.526 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -86.37 -15.52 40.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.585 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.881 HG13 ' O ' ' A' ' 83' ' ' VAL . 7.4 p -89.36 82.89 2.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.562 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.413 ' O ' ' O ' ' A' ' 83' ' ' VAL . 53.7 p-10 -40.81 162.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.531 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 64.1 p -119.51 119.66 34.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.599 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 55.7 p-10 -148.24 -0.85 0.57 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.535 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.682 ' O ' HG12 ' A' ' 91' ' ' VAL . 34.1 t -175.31 87.79 0.3 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.548 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.507 ' O ' ' CB ' ' A' ' 92' ' ' PHE . 35.2 Cg_endo -67.89 -16.47 45.67 Favored 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.772 2.315 . . . . 0.0 112.11 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 15.0 ptt-85 -85.15 -35.12 21.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.497 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -78.16 -58.07 3.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.507 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.682 HG12 ' O ' ' A' ' 87' ' ' SER . 9.5 p -56.96 -51.55 67.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.524 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.661 ' N ' HG13 ' A' ' 91' ' ' VAL . 85.6 t80 -45.75 -52.57 10.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.517 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -67.63 -30.51 70.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.541 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.75 ' NE ' ' HE1' ' A' ' 188' ' ' TRP . 20.1 ttp180 -71.32 -57.81 4.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.597 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.622 HG23 ' N ' ' A' ' 96' ' ' ALA . 28.4 m -59.67 -48.13 88.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.52 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.622 ' N ' HG23 ' A' ' 95' ' ' VAL . . . -54.93 -27.69 45.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.573 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -81.92 -38.87 24.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.513 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.41 ' O ' ' C ' ' A' ' 99' ' ' MET . 99.8 m-20 -63.09 -38.8 92.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.54 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . 0.535 ' HB2' HH21 ' A' ' 109' ' ' ARG . 64.1 mtt -38.24 -69.0 0.13 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.548 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.604 ' CD2' ' O ' ' A' ' 100' ' ' PHE . 16.6 p90 -111.17 57.55 0.62 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.56 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.3 t -74.68 -26.73 60.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.665 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.532 ' O ' ' C ' ' A' ' 103' ' ' GLY . 54.9 p-10 -155.67 -18.37 0.11 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.508 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.532 ' C ' ' O ' ' A' ' 102' ' ' ASP . . . -26.25 -80.73 0.01 OUTLIER Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . 0.606 ' O ' ' CG ' ' A' ' 105' ' ' PHE . 28.5 t-20 174.53 34.34 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.789 0.328 . . . . 0.0 110.631 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.606 ' CG ' ' O ' ' A' ' 104' ' ' ASN . 28.9 p90 42.72 29.09 0.15 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.533 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.519 ' O ' ' HB2' ' A' ' 107' ' ' TRP . 28.0 p30 -52.07 -110.51 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.566 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' TRP . . . . . 0.542 ' NE1' HG21 ' A' ' 110' ' ' VAL . 6.6 t90 174.6 -26.15 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.554 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.59 ' O ' HG12 ' A' ' 111' ' ' VAL . . . -50.2 -42.1 40.2 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.535 HH21 ' HB2' ' A' ' 99' ' ' MET . 0.0 OUTLIER -48.04 -26.1 1.68 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.858 0.361 . . . . 0.0 110.645 179.928 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.542 HG21 ' NE1' ' A' ' 107' ' ' TRP . 37.0 t -52.58 -57.94 3.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.514 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.59 HG12 ' O ' ' A' ' 108' ' ' GLY . 4.7 p -45.29 -46.76 3.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.529 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.581 ' N ' HG13 ' A' ' 111' ' ' VAL . . . -58.16 -34.83 70.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.574 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.669 ' O ' HD23 ' A' ' 113' ' ' LEU . 1.9 tt -57.04 -46.78 82.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.578 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -57.26 -44.03 83.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.538 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 92.6 t80 -68.01 -43.46 78.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.538 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.452 ' CE2' HG21 ' A' ' 95' ' ' VAL . 92.7 t80 -59.23 -41.7 89.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.504 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.509 ' O ' HG23 ' A' ' 121' ' ' VAL . . . -71.13 -32.45 69.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.583 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 4.9 t -48.75 -44.09 38.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.561 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.814 ' O ' ' CB ' ' A' ' 123' ' ' LYS . 55.1 mmtt -60.09 -43.49 95.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.529 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 52.3 mt -68.26 -30.84 69.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.552 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.723 HG13 HG23 ' A' ' 133' ' ' ILE . 55.8 t -77.63 -53.32 14.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.474 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.47 HD22 ' CB ' ' A' ' 35' ' ' ALA . 71.0 mt -73.03 -40.74 64.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.546 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.814 ' CB ' ' O ' ' A' ' 119' ' ' LYS . 39.5 tptt -58.36 -41.21 84.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.507 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.426 ' O ' ' OG1' ' A' ' 127' ' ' THR . . . -75.69 -20.75 58.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.502 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.479 HD11 ' CD ' ' A' ' 44' ' ' GLU . 15.0 tp -64.39 -30.62 71.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.573 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 36.3 t -84.29 -36.26 22.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.585 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.557 ' O ' ' CB ' ' A' ' 128' ' ' LYS . 41.1 p -54.15 -16.73 2.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.471 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.557 ' CB ' ' O ' ' A' ' 127' ' ' THR . 72.3 tttt 84.84 46.62 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.531 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.553 ' CG2' ' OG1' ' A' ' 127' ' ' THR . 0.2 OUTLIER -148.3 87.56 5.64 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.519 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . 0.467 ' HB3' ' OE1' ' A' ' 44' ' ' GLU . 38.3 Cg_endo -69.98 -15.04 36.12 Favored 'Trans proline' 0 C--N 1.305 -1.734 0 C-N-CA 122.782 2.321 . . . . 0.0 112.027 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . 0.761 ' O ' HG23 ' A' ' 135' ' ' THR . 80.9 tt0 -64.07 -41.59 97.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.467 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.54 ' HA ' ' OG1' ' A' ' 135' ' ' THR . 8.5 mp -60.5 -34.16 73.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.549 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.723 HG23 HG13 ' A' ' 121' ' ' VAL . 21.0 mm -56.85 -50.07 76.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.535 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 83.9 mtp180 -69.18 -34.87 75.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.505 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . 0.761 HG23 ' O ' ' A' ' 131' ' ' GLU . 70.8 p -67.19 -31.94 72.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.546 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.423 HG21 ' CG2' ' A' ' 121' ' ' VAL . 45.7 mt -69.67 -58.83 4.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.519 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 71.9 mtp -46.53 -25.53 0.7 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.527 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -68.61 -40.49 85.9 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' TRP . . . . . 0.509 ' CD1' ' N ' ' A' ' 139' ' ' TRP . 8.5 m0 -66.38 -24.47 66.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.78 0.324 . . . . 0.0 110.54 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' THR . . . . . 0.511 ' OG1' ' N ' ' A' ' 141' ' ' LEU . 13.4 p -75.49 -65.83 0.85 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.531 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.511 ' N ' ' OG1' ' A' ' 140' ' ' THR . 53.1 mt -51.87 -33.57 37.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.587 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -65.71 -51.05 62.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.57 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . 0.492 ' O ' ' HB2' ' A' ' 147' ' ' ARG . 37.1 t80 -66.9 -38.89 87.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.499 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.578 HD12 ' HB2' ' A' ' 148' ' ' LEU . 2.0 tp -71.07 -35.46 71.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.58 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 59.0 ttp180 -83.04 -10.64 58.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.616 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -111.98 -4.67 14.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.575 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . 1.153 ' O ' ' N ' ' A' ' 149' ' ' LEU . 7.8 mtp180 -142.15 -110.95 0.13 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.636 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . 0.814 ' H ' HD22 ' A' ' 148' ' ' LEU . 1.0 OUTLIER -15.38 -27.78 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.604 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . 1.153 ' N ' ' O ' ' A' ' 147' ' ' ARG . 57.9 tp -49.01 -56.29 9.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.604 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -63.96 -50.65 59.39 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 151' ' ' TRP . . . . . . . . . . . . . 99.9 m95 -66.24 -55.81 14.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.803 0.335 . . . . 0.0 110.61 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 152' ' ' ILE . . . . . 0.698 ' N ' ' O ' ' A' ' 148' ' ' LEU . 10.5 tt -51.22 -34.45 14.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.589 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . 0.678 ' NE2' HD11 ' A' ' 149' ' ' LEU . 51.4 mt-30 -67.41 -31.33 71.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.543 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -88.96 -4.61 58.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.584 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -97.45 0.83 48.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.562 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 83.65 24.67 49.26 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 89.82 -160.31 28.64 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 158' ' ' TRP . . . . . 0.412 ' CD1' HD11 ' A' ' 152' ' ' ILE . 54.4 m95 -74.02 -5.53 41.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.784 0.326 . . . . 0.0 110.529 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -60.92 -42.52 98.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.538 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -54.39 -32.2 51.84 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . 0.585 HD23 ' O ' ' A' ' 161' ' ' LEU . 2.0 tt -62.95 -54.0 45.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.772 0.32 . . . . 0.0 110.584 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 48.3 tp -67.12 -30.98 71.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.577 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 21.2 t -66.84 -26.31 66.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.521 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 93.5 t80 -76.6 -42.68 41.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.571 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -71.62 48.15 0.14 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.478 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -131.34 39.32 1.79 Allowed Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 167' ' ' THR . . . . . 1.037 ' OG1' ' HD2' ' A' ' 168' ' ' PRO . 0.6 OUTLIER -108.66 179.5 0.84 Allowed Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 120.832 0.348 . . . . 0.0 110.597 179.901 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 168' ' ' PRO . . . . . 1.037 ' HD2' ' OG1' ' A' ' 167' ' ' THR . 47.2 Cg_endo -72.31 -146.47 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.743 0 C-N-CA 122.862 2.375 . . . . 0.0 112.069 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 169' ' ' THR . . . . . 0.594 ' C ' ' O ' ' A' ' 168' ' ' PRO . 67.2 p -22.84 102.2 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.507 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 170' ' ' TRP . . . . . 0.688 ' O ' HG22 ' A' ' 173' ' ' VAL . 34.3 p90 -65.33 -18.61 65.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.563 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 171' ' ' GLN . . . . . . . . . . . . . 4.5 pp0? -46.96 -14.2 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.598 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 172' ' ' THR . . . . . 0.52 ' O ' HG22 ' A' ' 175' ' ' ILE . 4.8 m -86.93 -29.55 22.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.587 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 173' ' ' VAL . . . . . 0.688 HG22 ' O ' ' A' ' 170' ' ' TRP . 2.0 m -72.15 -45.67 61.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.551 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 174' ' ' THR . . . . . 0.564 ' N ' ' CG2' ' A' ' 173' ' ' VAL . 24.9 m -64.58 -24.92 67.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.578 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 175' ' ' ILE . . . . . 0.52 HG22 ' O ' ' A' ' 172' ' ' THR . 1.7 tt -85.82 -7.38 10.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.551 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 176' ' ' PHE . . . . . 0.488 ' O ' HG12 ' A' ' 180' ' ' VAL . 63.8 t80 -94.7 -60.04 1.79 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.593 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 3.2 m -62.13 -16.71 16.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.597 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 178' ' ' ALA . . . . . 0.624 ' O ' ' OG1' ' A' ' 182' ' ' THR . . . -95.51 -45.9 6.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.606 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -62.36 -26.19 67.67 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 180' ' ' VAL . . . . . 0.698 HG13 ' N ' ' A' ' 181' ' ' LEU . 13.8 p -86.21 -51.73 12.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.848 0.356 . . . . 0.0 110.606 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . 0.698 ' N ' HG13 ' A' ' 180' ' ' VAL . 43.5 tp -69.34 -47.97 62.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.543 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 182' ' ' THR . . . . . 0.624 ' OG1' ' O ' ' A' ' 178' ' ' ALA . 25.4 m -50.47 -51.43 47.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.619 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -47.31 -45.68 24.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.566 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 184' ' ' SER . . . . . . . . . . . . . 27.6 t -54.48 -37.93 65.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.494 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 60.3 mt -77.56 -21.76 52.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.613 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 21.5 m -73.22 -44.84 58.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.574 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 187' ' ' ILE . . . . . 0.639 HG23 ' N ' ' A' ' 188' ' ' TRP . 12.5 tt -73.69 -51.7 23.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.547 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 188' ' ' TRP . . . . . 0.75 ' HE1' ' NE ' ' A' ' 94' ' ' ARG . 6.2 t90 -30.72 -56.98 0.21 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.573 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 7.5 mmtt -175.68 128.35 0.25 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.569 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 190' ' ' LYS . . . . . . . . . . . . . 14.7 ptmt -109.95 89.48 3.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.536 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 191' ' ' MET . . . . . . . . . . . . . 84.0 mtp -128.56 136.62 51.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.591 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.763 0 CA-C-O 118.002 -1.443 . . . . 0.0 110.93 -179.994 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 130' ' ' CYS . . . . . 0.511 ' O ' ' SG ' ' B' ' 130' ' ' CYS . 2.1 t . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 131' ' ' GLU . . . . . 0.714 ' O ' ' O ' ' B' ' 132' ' ' ALA . 84.7 tt0 -103.67 149.66 24.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.559 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 132' ' ' ALA . . . . . 0.714 ' O ' ' O ' ' B' ' 131' ' ' GLU . . . 44.66 164.76 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.641 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 51.2 mt -92.45 104.65 16.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.53 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 134' ' ' LYS . . . . . . . . . . . . . 36.6 ttpt -59.96 -42.85 94.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.61 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 135' ' ' LYS . . . . . 0.586 ' O ' ' HB3' ' B' ' 136' ' ' ALA . 99.8 mttt -92.05 154.78 18.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.572 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 136' ' ' ALA . . . . . 0.586 ' HB3' ' O ' ' B' ' 135' ' ' LYS . . . 73.58 45.44 0.25 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.546 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 137' ' ' LEU . . . . . 0.401 ' C ' ' NH2' ' B' ' 141' ' ' ARG . 66.5 mt -81.99 -162.57 0.56 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.47 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 138' ' ' ARG . . . . . 0.493 ' N ' ' NH2' ' B' ' 141' ' ' ARG . 17.7 ptm180 -68.24 -5.95 21.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.572 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 139' ' ' ARG . . . . . . . . . . . . . 90.6 mtm180 -62.78 -44.78 95.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.557 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 140' ' ' HIS . . . . . 0.761 ' O ' ' N ' ' B' ' 143' ' ' LEU . 71.2 m80 -79.06 -66.7 0.83 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.471 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 141' ' ' ARG . . . . . 0.493 ' NH2' ' N ' ' B' ' 138' ' ' ARG . 94.0 mtm-85 -32.43 -31.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.473 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 142' ' ' PHE . . . . . 0.602 ' N ' ' O ' ' B' ' 140' ' ' HIS . 22.8 m-85 -93.6 -28.42 16.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.422 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 143' ' ' LEU . . . . . 0.761 ' N ' ' O ' ' B' ' 140' ' ' HIS . 34.9 tp -59.94 -33.21 71.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.568 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 144' ' ' TRP . . . . . 0.475 ' O ' ' C ' ' B' ' 145' ' ' GLN . 65.2 t-105 -87.24 -54.92 4.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.586 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 145' ' ' GLN . . . . . 0.539 ' HG2' ' H ' ' B' ' 147' ' ' ARG . 46.8 tt0 -34.28 -70.98 0.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.517 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 146' ' ' ARG . . . . . 0.486 ' NE ' ' O ' ' B' ' 143' ' ' LEU . 99.8 mtt180 46.17 21.72 0.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.539 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 147' ' ' ARG . . . . . 0.539 ' H ' ' HG2' ' B' ' 145' ' ' GLN . 29.3 mmt180 46.86 22.1 0.18 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.58 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 148' ' ' GLN . . . . . . . . . . . . . 59.2 tp60 -77.92 137.06 38.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.565 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 44.1 ttm180 -138.76 138.98 38.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.512 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 150' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.482 0 CA-C-O 118.049 -0.977 . . . . 0.0 110.522 -179.939 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.3 ptt? . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.825 ' OD1' ' N ' ' A' ' 3' ' ' GLY . 49.3 p-10 -52.89 -64.57 0.77 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.506 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.825 ' N ' ' OD1' ' A' ' 2' ' ' ASP . . . 92.43 -42.22 2.72 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.5 m -149.88 -41.6 0.14 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.738 0.304 . . . . 0.0 110.615 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 179.13 -135.89 2.69 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 1.036 ' O ' ' HB3' ' A' ' 7' ' ' GLN . 8.4 tp10 -134.8 103.84 5.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.733 0.301 . . . . 0.0 110.62 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 1.036 ' HB3' ' O ' ' A' ' 6' ' ' GLU . 6.9 tt0 106.33 37.71 0.0 OUTLIER Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.65 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.729 ' CD ' ' H ' ' A' ' 7' ' ' GLN . 49.6 Cg_endo -72.67 104.12 1.68 Allowed 'Trans proline' 0 C--N 1.306 -1.71 0 C-N-CA 122.722 2.281 . . . . 0.0 112.074 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 47.6 mtp180 -62.29 151.33 36.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.54 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 1.311 ' O ' ' N ' ' A' ' 12' ' ' GLY . . . -109.8 -36.43 2.04 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.67 ' C ' ' O ' ' A' ' 10' ' ' GLY . . . -9.0 -25.34 0.0 OUTLIER Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 1.311 ' N ' ' O ' ' A' ' 10' ' ' GLY . . . -124.01 111.86 1.71 Allowed Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.581 ' O ' ' C ' ' A' ' 14' ' ' THR . 51.7 Cg_exo -47.78 -76.65 0.03 OUTLIER 'Trans proline' 0 C--N 1.305 -1.733 0 C-N-CA 122.812 2.341 . . . . 0.0 112.075 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.581 ' C ' ' O ' ' A' ' 13' ' ' PRO . 34.5 p -23.82 90.69 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.674 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.766 ' O ' ' CD1' ' A' ' 19' ' ' ILE . 3.3 p -117.92 -150.07 0.45 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.441 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.422 ' H ' ' HB2' ' A' ' 15' ' ' SER . 23.3 m -95.52 -15.41 22.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.416 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 69.2 mm-40 -78.18 -49.65 13.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.539 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.483 ' CD ' ' O ' ' A' ' 18' ' ' GLN . 3.5 tm0? -66.63 -23.6 66.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.566 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.766 ' CD1' ' O ' ' A' ' 15' ' ' SER . 72.4 mt -81.52 -55.2 8.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.641 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.457 ' C ' ' SD ' ' A' ' 20' ' ' MET . 12.9 tmm? -53.11 -36.79 61.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.607 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 64.3 mmtt -67.15 -46.08 75.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.552 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.436 HG22 ' O ' ' A' ' 22' ' ' THR . 32.9 m -72.39 -8.1 53.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.528 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -79.41 -53.91 4.21 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.878 ' O ' ' HB3' ' A' ' 28' ' ' GLN . . . -78.33 -9.37 59.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.767 0.317 . . . . 0.0 110.473 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.612 HD23 ' C ' ' A' ' 25' ' ' LEU . 4.7 tt -86.62 -80.82 0.23 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.58 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.549 ' C ' ' O ' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -26.83 -65.69 0.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.563 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.5 ' N ' HD12 ' A' ' 27' ' ' LEU . 10.9 mp -51.25 -57.78 7.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.654 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.878 ' HB3' ' O ' ' A' ' 24' ' ' ALA . 0.4 OUTLIER -47.64 -17.78 0.11 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.536 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.541 ' O ' ' N ' ' A' ' 31' ' ' ILE . . . -88.81 -72.8 1.28 Allowed Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 44.8 t80 -42.17 -18.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.787 0.327 . . . . 0.0 110.535 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.541 ' N ' ' O ' ' A' ' 29' ' ' GLY . 90.8 mt -76.97 -69.2 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.547 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.55 ' CG ' HD23 ' A' ' 45' ' ' LEU . 5.4 pp0? -78.88 29.98 0.2 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.554 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.415 ' H ' ' C ' ' A' ' 31' ' ' ILE . 67.9 t0 -112.96 -50.96 2.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.598 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.421 ' NH2' ' OD2' ' A' ' 71' ' ' ASP . 16.0 ptm180 -91.4 -26.86 18.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.538 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.467 ' CB ' HD22 ' A' ' 122' ' ' LEU . . . -99.11 -12.96 20.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.603 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -89.55 94.71 2.02 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.911 -0.875 . . . . 0.0 110.911 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -143.5 -49.54 0.31 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.761 0.315 . . . . 0.0 110.548 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 77.7 mtm -85.8 146.26 26.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.545 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 81.42 -114.25 3.79 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.845 -0.902 . . . . 0.0 110.845 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 97.85 -15.73 61.31 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -85.92 -10.82 54.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.761 0.315 . . . . 0.0 110.572 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -160.58 72.59 2.87 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.509 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -69.49 133.09 25.21 Favored 'Trans proline' 0 C--N 1.305 -1.762 0 C-N-CA 122.792 2.328 . . . . 0.0 112.061 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.676 ' OE1' ' N ' ' A' ' 44' ' ' GLU . 40.5 mp0 -74.8 -14.98 60.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.612 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.55 HD23 ' CG ' ' A' ' 32' ' ' GLN . 25.2 tp -90.82 63.99 5.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.533 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -78.16 133.95 37.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.529 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.404 ' O ' ' HB3' ' A' ' 48' ' ' ASP . 0.8 OUTLIER -172.24 -73.87 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.53 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.404 ' HB3' ' O ' ' A' ' 47' ' ' LEU . 8.6 p30 170.57 66.08 0.02 OUTLIER Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.589 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo -70.36 108.89 2.29 Favored 'Trans proline' 0 C--N 1.304 -1.795 0 C-N-CA 122.791 2.327 . . . . 0.0 112.1 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 27.2 m -148.61 139.72 13.8 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.481 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -49.5 -59.45 1.22 Allowed 'Trans proline' 0 C--N 1.306 -1.698 0 C-N-CA 122.766 2.311 . . . . 0.0 112.089 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 52.39 -127.17 2.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.604 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -79.38 142.28 36.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.598 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -80.76 -1.43 42.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.568 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 98.3 p -58.28 -40.28 81.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.597 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -80.46 -34.14 36.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.57 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -50.61 -54.77 20.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.554 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 30.4 ttpt -60.04 -47.61 85.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.609 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.642 HD23 ' O ' ' A' ' 59' ' ' LEU . 0.9 OUTLIER -62.01 -26.47 68.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.64 179.907 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.5 t -71.13 -35.53 71.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.642 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -63.66 -31.83 73.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.563 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.429 ' O ' HG22 ' A' ' 66' ' ' ILE . 99.8 m -64.12 -37.95 89.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.6 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.472 HD12 ' N ' ' A' ' 63' ' ' LEU . 9.5 mp -75.17 -24.83 57.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.511 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -84.12 -36.62 22.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.663 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.429 ' O ' ' OE2' ' A' ' 69' ' ' GLU . 95.0 mtt180 -68.56 -44.43 74.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.588 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.429 HG22 ' O ' ' A' ' 62' ' ' CYS . 21.0 tt -76.49 -35.08 25.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.567 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.425 ' O ' ' CB ' ' A' ' 71' ' ' ASP . . . -61.14 -45.21 97.01 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.437 ' O ' ' OD1' ' A' ' 68' ' ' ASP . 68.2 t0 -62.87 -34.34 77.18 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.764 0.316 . . . . 0.0 110.495 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.534 ' N ' ' OE1' ' A' ' 69' ' ' GLU . 0.3 OUTLIER -79.65 -58.39 3.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.604 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.25 -43.03 74.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.568 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.425 ' CB ' ' O ' ' A' ' 67' ' ' GLY . 53.7 t0 -65.02 -8.78 17.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.59 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.6 t -96.44 7.09 47.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.554 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -92.98 111.46 23.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.595 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 64.3 mtt -68.28 -11.3 59.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.542 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -80.27 -67.3 0.78 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.59 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 7.6 tp -59.76 -40.36 87.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.552 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 10.8 tm0? -61.69 -38.03 86.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.521 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 76.1 ttt180 -68.52 -44.89 73.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.51 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.483 ' SD ' HG23 ' A' ' 182' ' ' THR . 73.2 mtp -54.57 -43.88 72.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.529 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.641 ' O ' HG12 ' A' ' 83' ' ' VAL . 82.1 mt -62.39 -23.68 32.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.582 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -86.04 -18.69 31.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.584 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -86.51 -15.35 40.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.538 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.875 HG13 ' O ' ' A' ' 83' ' ' VAL . 7.8 p -89.47 82.74 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.623 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.422 ' O ' ' O ' ' A' ' 83' ' ' VAL . 56.9 p-10 -40.51 162.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.594 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 37.9 p -119.79 119.77 34.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.613 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -148.53 -0.59 0.55 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.48 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.67 ' O ' HG12 ' A' ' 91' ' ' VAL . 46.0 t -175.4 87.45 0.3 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.544 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.496 ' O ' ' CB ' ' A' ' 92' ' ' PHE . 35.0 Cg_endo -67.85 -15.74 44.51 Favored 'Trans proline' 0 C--N 1.306 -1.685 0 C-N-CA 122.794 2.33 . . . . 0.0 112.12 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 33.9 ptt-85 -85.4 -35.96 20.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.548 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -77.55 -58.58 3.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.533 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.67 HG12 ' O ' ' A' ' 87' ' ' SER . 10.5 p -56.05 -51.87 56.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.543 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.666 ' N ' HG13 ' A' ' 91' ' ' VAL . 84.5 t80 -45.66 -52.65 10.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.454 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -67.61 -30.56 70.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.586 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 10.8 tpp85 -71.33 -57.96 3.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.549 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.625 HG23 ' N ' ' A' ' 96' ' ' ALA . 27.9 m -59.36 -48.2 87.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.493 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.625 ' N ' HG23 ' A' ' 95' ' ' VAL . . . -54.98 -27.6 45.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.614 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -81.96 -38.89 24.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.502 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.41 ' O ' ' C ' ' A' ' 99' ' ' MET . 99.7 m-20 -63.15 -38.67 92.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.554 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . 0.531 ' HB2' HH21 ' A' ' 109' ' ' ARG . 64.7 mtt -38.45 -68.87 0.14 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.539 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.597 ' CD2' ' O ' ' A' ' 100' ' ' PHE . 17.3 p90 -111.23 57.6 0.62 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.623 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.2 t -74.71 -26.78 60.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.587 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.535 ' O ' ' C ' ' A' ' 103' ' ' GLY . 55.5 p-10 -155.58 -18.43 0.11 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.593 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.535 ' C ' ' O ' ' A' ' 102' ' ' ASP . . . -26.3 -80.68 0.01 OUTLIER Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . 0.606 ' O ' ' CG ' ' A' ' 105' ' ' PHE . 11.5 m-20 174.49 34.36 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.821 0.343 . . . . 0.0 110.598 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.606 ' CG ' ' O ' ' A' ' 104' ' ' ASN . 26.6 p90 42.69 29.13 0.15 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.507 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.52 ' CG ' ' H ' ' A' ' 107' ' ' TRP . 28.8 p30 -52.13 -110.49 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.565 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' TRP . . . . . 0.535 ' NE1' HG21 ' A' ' 110' ' ' VAL . 6.4 t90 174.64 -26.19 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.576 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.588 ' O ' HG12 ' A' ' 111' ' ' VAL . . . -50.11 -42.14 39.51 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.876 -0.89 . . . . 0.0 110.876 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.531 HH21 ' HB2' ' A' ' 99' ' ' MET . 0.0 OUTLIER -48.14 -26.01 1.71 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.782 0.325 . . . . 0.0 110.58 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.535 HG21 ' NE1' ' A' ' 107' ' ' TRP . 35.0 t -52.63 -57.89 3.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.583 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.588 HG12 ' O ' ' A' ' 108' ' ' GLY . 4.7 p -45.19 -46.83 3.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.573 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.58 ' N ' HG13 ' A' ' 111' ' ' VAL . . . -57.97 -35.22 70.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.525 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.669 ' O ' HD23 ' A' ' 113' ' ' LEU . 1.9 tt -56.8 -46.79 81.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.498 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.451 ' CZ ' ' CG1' ' A' ' 110' ' ' VAL . 9.8 m-85 -57.18 -44.05 83.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.556 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 92.5 t80 -68.02 -43.67 78.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.499 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.458 ' CE2' HG21 ' A' ' 95' ' ' VAL . 93.2 t80 -59.01 -41.94 88.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.509 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.508 ' O ' HG23 ' A' ' 121' ' ' VAL . . . -70.88 -32.59 69.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.566 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 4.8 t -48.63 -44.31 37.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.516 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.821 ' O ' ' CB ' ' A' ' 123' ' ' LYS . 54.5 mmtt -59.91 -43.57 94.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.545 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 54.0 mt -68.11 -31.22 70.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.517 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.721 HG13 HG23 ' A' ' 133' ' ' ILE . 54.6 t -77.16 -53.58 14.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.545 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.467 HD22 ' CB ' ' A' ' 35' ' ' ALA . 70.2 mt -72.87 -40.9 65.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.558 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.821 ' CB ' ' O ' ' A' ' 119' ' ' LYS . 88.8 tttt -58.12 -40.98 82.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.612 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -75.83 -21.66 57.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.594 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 42.5 tp -63.18 -32.2 73.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.613 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . 0.461 ' SG ' ' N ' ' A' ' 127' ' ' THR . 14.4 p -83.53 -35.26 24.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.616 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.765 ' O ' ' HB2' ' A' ' 128' ' ' LYS . 55.3 m -53.81 -19.07 3.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.584 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.765 ' HB2' ' O ' ' A' ' 127' ' ' THR . 50.8 mtpt 87.52 45.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.625 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 129' ' ' VAL . 14.4 m -148.3 88.46 5.4 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.589 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . 0.4 ' HA ' HG12 ' A' ' 133' ' ' ILE . 39.8 Cg_endo -70.21 -14.72 34.99 Favored 'Trans proline' 0 C--N 1.306 -1.678 0 C-N-CA 122.783 2.322 . . . . 0.0 112.069 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . 0.739 ' O ' HG23 ' A' ' 135' ' ' THR . 81.1 tt0 -64.11 -41.66 97.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.563 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.549 ' HA ' ' OG1' ' A' ' 135' ' ' THR . 9.0 mp -60.42 -34.11 73.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.544 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.721 HG23 HG13 ' A' ' 121' ' ' VAL . 21.0 mm -56.81 -50.1 76.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.506 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 89.1 mtm180 -69.17 -34.83 75.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.436 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . 0.739 HG23 ' O ' ' A' ' 131' ' ' GLU . 62.5 p -67.16 -32.09 72.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.508 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.42 HG21 ' CG2' ' A' ' 121' ' ' VAL . 44.8 mt -69.62 -58.99 4.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.494 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 53.1 ttm -46.35 -25.49 0.65 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.527 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -68.74 -40.48 85.28 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' TRP . . . . . 0.507 ' CD1' ' N ' ' A' ' 139' ' ' TRP . 10.0 m0 -66.31 -24.4 66.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.845 0.355 . . . . 0.0 110.585 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' THR . . . . . 0.47 ' OG1' ' N ' ' A' ' 141' ' ' LEU . 22.5 p -75.54 -65.86 0.85 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.526 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.47 ' N ' ' OG1' ' A' ' 140' ' ' THR . 51.2 mt -51.74 -33.64 35.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.615 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -65.77 -51.01 62.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.537 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . 0.431 ' O ' ' HB2' ' A' ' 147' ' ' ARG . 5.7 t80 -66.8 -38.93 87.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.567 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.557 HD12 ' HB2' ' A' ' 148' ' ' LEU . 1.6 tp -70.98 -35.57 72.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.596 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 59.1 ttp180 -83.03 -10.61 58.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.592 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -112.03 -4.67 14.42 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.527 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . 1.154 ' O ' ' N ' ' A' ' 149' ' ' LEU . 12.2 mtp180 -142.14 -110.93 0.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.55 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . 0.792 ' H ' HD22 ' A' ' 148' ' ' LEU . 1.0 OUTLIER -15.28 -27.81 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.539 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . 1.154 ' N ' ' O ' ' A' ' 147' ' ' ARG . 47.1 tp -49.07 -56.36 9.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.541 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -63.91 -50.59 59.88 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 151' ' ' TRP . . . . . . . . . . . . . 8.8 m95 -66.24 -55.82 14.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.79 0.329 . . . . 0.0 110.581 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 152' ' ' ILE . . . . . 0.697 ' N ' ' O ' ' A' ' 148' ' ' LEU . 10.3 tt -51.42 -34.24 15.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.546 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 56.4 tt0 -67.47 -31.23 71.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.593 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -89.25 -4.4 58.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.544 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -97.55 0.74 47.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.536 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 83.77 24.63 48.92 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 89.84 -160.32 28.61 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 158' ' ' TRP . . . . . 0.521 ' CD1' HD11 ' A' ' 152' ' ' ILE . 31.7 m95 -73.99 -5.6 42.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.829 0.347 . . . . 0.0 110.561 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -60.93 -42.42 98.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.578 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -54.37 -32.2 51.74 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . 0.58 HD23 ' O ' ' A' ' 161' ' ' LEU . 2.1 tt -63.01 -53.98 45.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.755 0.312 . . . . 0.0 110.547 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 50.4 tp -67.19 -31.0 71.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.532 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 20.8 t -66.83 -26.21 66.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.542 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 91.7 t80 -76.71 -42.66 40.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.565 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -71.58 47.89 0.14 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.574 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -130.84 39.01 1.85 Allowed Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 167' ' ' THR . . . . . 1.004 ' OG1' ' HD2' ' A' ' 168' ' ' PRO . 0.6 OUTLIER -108.39 179.26 0.89 Allowed Pre-proline 0 C--N 1.33 -0.242 0 CA-C-O 120.917 0.389 . . . . 0.0 110.511 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 168' ' ' PRO . . . . . 1.004 ' HD2' ' OG1' ' A' ' 167' ' ' THR . 48.3 Cg_endo -72.5 -145.8 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 122.89 2.393 . . . . 0.0 112.052 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 169' ' ' THR . . . . . 0.589 ' C ' ' O ' ' A' ' 168' ' ' PRO . 18.3 p -23.1 101.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.569 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 170' ' ' TRP . . . . . 0.69 ' O ' HG22 ' A' ' 173' ' ' VAL . 33.3 p90 -64.97 -18.57 65.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.566 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 171' ' ' GLN . . . . . 0.537 ' NE2' ' OG1' ' A' ' 172' ' ' THR . 5.4 pp0? -47.25 -14.07 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.579 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 172' ' ' THR . . . . . 0.537 ' OG1' ' NE2' ' A' ' 171' ' ' GLN . 5.1 m -87.02 -29.5 21.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.587 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 173' ' ' VAL . . . . . 0.69 HG22 ' O ' ' A' ' 170' ' ' TRP . 2.0 m -72.1 -45.69 61.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.552 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 174' ' ' THR . . . . . 0.567 ' N ' ' CG2' ' A' ' 173' ' ' VAL . 24.9 m -64.52 -24.9 67.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.544 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 175' ' ' ILE . . . . . 0.556 ' O ' HG22 ' A' ' 175' ' ' ILE . 89.1 mt -85.78 -7.48 10.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.502 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 176' ' ' PHE . . . . . 0.486 ' O ' HG12 ' A' ' 180' ' ' VAL . 63.5 t80 -94.74 -59.98 1.8 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.559 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 3.2 m -62.11 -16.78 16.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.554 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 178' ' ' ALA . . . . . 0.623 ' O ' ' OG1' ' A' ' 182' ' ' THR . . . -95.54 -45.89 6.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.568 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -62.28 -26.22 67.57 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 180' ' ' VAL . . . . . 0.699 HG13 ' N ' ' A' ' 181' ' ' LEU . 13.6 p -86.21 -51.72 12.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.779 0.323 . . . . 0.0 110.6 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . 0.699 ' N ' HG13 ' A' ' 180' ' ' VAL . 43.2 tp -69.32 -47.98 62.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.598 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 182' ' ' THR . . . . . 0.623 ' OG1' ' O ' ' A' ' 178' ' ' ALA . 25.8 m -50.49 -51.39 47.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.56 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -47.36 -45.71 25.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.58 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 184' ' ' SER . . . . . . . . . . . . . 27.9 t -54.42 -37.92 65.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.596 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 64.0 mt -77.57 -21.74 52.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.595 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 186' ' ' THR . . . . . 0.483 ' O ' ' CG ' ' A' ' 190' ' ' LYS . 90.8 m -73.17 -44.89 59.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.581 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 187' ' ' ILE . . . . . 0.637 HG23 ' N ' ' A' ' 188' ' ' TRP . 12.4 tt -73.7 -51.65 24.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.581 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 188' ' ' TRP . . . . . 0.637 ' N ' HG23 ' A' ' 187' ' ' ILE . 0.2 OUTLIER -30.72 -56.95 0.21 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.563 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 8.0 mmtt -175.76 128.31 0.24 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.597 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 190' ' ' LYS . . . . . 0.483 ' CG ' ' O ' ' A' ' 186' ' ' THR . 42.6 mtmt -109.94 89.6 3.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.508 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 191' ' ' MET . . . . . . . . . . . . . 84.2 mtp -128.59 136.57 50.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.563 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.731 0 CA-C-O 117.981 -1.455 . . . . 0.0 110.968 179.985 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 130' ' ' CYS . . . . . 0.811 ' SG ' ' N ' ' B' ' 131' ' ' GLU . 17.4 p . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 131' ' ' GLU . . . . . 0.811 ' N ' ' SG ' ' B' ' 130' ' ' CYS . 40.9 tp10 -65.42 -55.23 19.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.553 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 132' ' ' ALA . . . . . 0.561 ' HB3' ' O ' ' B' ' 131' ' ' GLU . . . 72.63 -174.9 0.16 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.534 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 46.8 mt -88.86 79.28 7.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.538 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 134' ' ' LYS . . . . . . . . . . . . . 36.3 ttmt -66.87 -42.05 86.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.604 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 135' ' ' LYS . . . . . 0.488 ' O ' ' HB3' ' B' ' 136' ' ' ALA . 98.0 mttt -65.07 -43.59 91.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.571 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 136' ' ' ALA . . . . . 0.488 ' HB3' ' O ' ' B' ' 135' ' ' LYS . . . 68.09 -140.71 0.11 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.631 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 57.8 mt -102.94 101.42 11.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.547 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 138' ' ' ARG . . . . . 0.474 ' O ' ' HB2' ' B' ' 142' ' ' PHE . 87.1 mtm180 -65.95 -36.11 82.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.585 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 139' ' ' ARG . . . . . . . . . . . . . 60.8 ttp180 -60.43 -44.35 95.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.583 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 140' ' ' HIS . . . . . 0.691 ' O ' ' N ' ' B' ' 143' ' ' LEU . 74.2 t60 -79.16 -66.44 0.87 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.558 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 141' ' ' ARG . . . . . 0.464 ' C ' ' O ' ' B' ' 140' ' ' HIS . 40.7 ttm180 -33.96 -31.99 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.529 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 142' ' ' PHE . . . . . 0.552 ' N ' ' O ' ' B' ' 140' ' ' HIS . 15.0 m-85 -91.81 -29.39 16.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.541 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 143' ' ' LEU . . . . . 0.691 ' N ' ' O ' ' B' ' 140' ' ' HIS . 51.1 tp -58.91 -34.25 71.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.631 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 144' ' ' TRP . . . . . 0.437 ' O ' ' C ' ' B' ' 145' ' ' GLN . 64.0 t-105 -85.96 -53.74 4.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.568 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 145' ' ' GLN . . . . . 0.437 ' C ' ' O ' ' B' ' 144' ' ' TRP . 49.8 tt0 -35.42 -69.09 0.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.648 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 146' ' ' ARG . . . . . . . . . . . . . 77.6 mtp85 -72.26 138.19 47.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.664 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 147' ' ' ARG . . . . . . . . . . . . . 66.7 ttp85 -141.94 91.05 2.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.54 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 148' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 -97.38 -84.3 0.38 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.643 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -72.58 -35.8 68.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.608 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 150' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 118.038 -0.982 . . . . 0.0 110.585 179.929 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.5 ptt? . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.761 ' OD1' ' N ' ' A' ' 3' ' ' GLY . 46.6 p30 -51.37 -47.76 62.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.662 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.761 ' N ' ' OD1' ' A' ' 2' ' ' ASP . . . 84.68 -91.48 1.68 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 18.0 m -143.21 -34.07 0.43 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.832 0.349 . . . . 0.0 110.589 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -158.8 -150.91 5.93 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.779 ' O ' ' CB ' ' A' ' 7' ' ' GLN . 5.3 tp10 -138.91 113.15 8.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.788 0.328 . . . . 0.0 110.508 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.881 ' N ' ' CD ' ' A' ' 8' ' ' PRO . 3.9 tp60 109.25 24.64 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.542 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.881 ' CD ' ' N ' ' A' ' 7' ' ' GLN . 55.2 Cg_endo -73.4 143.49 34.97 Favored 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.807 2.338 . . . . 0.0 112.161 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 59.2 mtp180 -120.59 106.58 11.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.681 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.574 ' O ' ' N ' ' A' ' 12' ' ' GLY . . . 172.87 44.47 0.04 OUTLIER Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 10' ' ' GLY . . . -34.85 90.52 0.01 OUTLIER Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.574 ' N ' ' O ' ' A' ' 10' ' ' GLY . . . 103.7 67.25 0.74 Allowed Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.56 ' HD3' ' H ' ' A' ' 12' ' ' GLY . 46.6 Cg_exo -51.67 -24.79 18.48 Favored 'Trans proline' 0 C--N 1.305 -1.747 0 C-N-CA 122.786 2.324 . . . . 0.0 112.134 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.423 ' O ' ' OG1' ' A' ' 14' ' ' THR . 1.3 p -82.66 46.34 1.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.624 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.542 ' O ' ' CD1' ' A' ' 19' ' ' ILE . 34.0 p -100.8 -161.97 0.9 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.602 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.5 m -90.6 -5.4 55.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.687 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -82.35 -50.88 8.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.691 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.545 ' CD ' ' O ' ' A' ' 18' ' ' GLN . 3.0 tm0? -68.17 -20.4 64.87 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.594 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.542 ' CD1' ' O ' ' A' ' 15' ' ' SER . 71.0 mt -84.56 -57.32 4.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.57 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 62.4 ttp -51.37 -36.64 44.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.537 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -67.1 -47.13 72.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.444 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.441 HG22 ' O ' ' A' ' 22' ' ' THR . 29.1 m -71.89 -5.57 35.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.493 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -81.81 -53.76 3.65 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.668 ' O ' ' CG ' ' A' ' 28' ' ' GLN . . . -78.63 -8.85 59.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.833 0.349 . . . . 0.0 110.494 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.554 ' O ' ' C ' ' A' ' 26' ' ' LEU . 29.9 tp -86.7 -81.51 0.22 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.558 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.733 HD22 HG23 ' A' ' 56' ' ' THR . 0.1 OUTLIER -26.11 -66.4 0.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.531 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.427 ' C ' ' N ' ' A' ' 29' ' ' GLY . 4.9 tp -50.58 -58.54 5.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.579 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.857 ' NE2' HD11 ' A' ' 45' ' ' LEU . 69.6 mm-40 -46.85 -18.02 0.06 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.614 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.547 ' O ' ' N ' ' A' ' 31' ' ' ILE . . . -88.73 -72.9 1.28 Allowed Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -42.19 -18.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.834 0.35 . . . . 0.0 110.531 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.547 ' N ' ' O ' ' A' ' 29' ' ' GLY . 88.1 mt -77.07 -69.22 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.588 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.538 ' O ' ' CD ' ' A' ' 32' ' ' GLN . 0.0 OUTLIER -78.82 29.88 0.2 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.542 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.478 ' OD1' ' OE1' ' A' ' 32' ' ' GLN . 50.4 m-20 -112.81 -51.12 2.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.645 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.465 ' NH2' ' OD2' ' A' ' 71' ' ' ASP . 15.9 ptm180 -91.23 -27.13 18.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.579 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.474 ' CB ' HD22 ' A' ' 122' ' ' LEU . . . -98.75 -13.9 19.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.533 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -87.73 140.38 16.5 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 34.1 mmt180 -86.04 -175.48 5.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.791 0.329 . . . . 0.0 110.634 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 85.7 mmm -65.66 -37.84 87.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.608 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -89.52 174.53 41.56 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.871 -0.892 . . . . 0.0 110.871 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -166.12 65.52 0.21 Allowed Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.861 -0.896 . . . . 0.0 110.861 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -75.33 -40.27 58.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.777 0.323 . . . . 0.0 110.716 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.495 ' N ' ' HD3' ' A' ' 43' ' ' PRO . . . -147.3 59.25 4.71 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.656 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.495 ' HD3' ' N ' ' A' ' 42' ' ' ALA . 46.3 Cg_exo -51.74 155.73 7.58 Favored 'Trans proline' 0 C--N 1.305 -1.723 0 C-N-CA 122.708 2.272 . . . . 0.0 111.972 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -93.68 -8.08 41.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.53 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.857 HD11 ' NE2' ' A' ' 28' ' ' GLN . 35.0 tp -105.23 67.3 0.77 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.559 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -76.32 138.86 40.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.571 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.911 HD23 ' H ' ' A' ' 47' ' ' LEU . 1.1 pt? -145.67 173.05 12.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.557 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -90.76 160.64 38.05 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.601 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.743 ' O ' HG13 ' A' ' 50' ' ' VAL . 53.1 Cg_exo -47.26 165.26 0.11 Allowed 'Trans proline' 0 C--N 1.305 -1.733 0 C-N-CA 122.797 2.332 . . . . 0.0 112.149 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.743 HG13 ' O ' ' A' ' 49' ' ' PRO . 0.6 OUTLIER -164.41 138.26 4.2 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.54 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -48.91 164.43 0.24 Allowed 'Trans proline' 0 C--N 1.305 -1.747 0 C-N-CA 122.75 2.3 . . . . 0.0 112.055 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 56.8 tt0 -96.99 98.53 10.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.614 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -130.41 134.99 47.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.591 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -86.57 -2.94 58.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.628 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 6.5 t -58.45 -40.3 82.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.562 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.733 HG23 HD22 ' A' ' 26' ' ' LEU . 1.2 m -81.13 -33.87 32.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.515 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.2 mmmt -50.58 -54.58 21.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.564 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 31.9 ttpt -59.98 -47.73 84.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.554 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.622 HD23 ' O ' ' A' ' 59' ' ' LEU . 0.8 OUTLIER -61.94 -26.46 68.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.551 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.5 t -71.34 -35.36 71.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.556 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 76.0 mt-10 -63.78 -31.79 73.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.571 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.438 ' O ' HG22 ' A' ' 66' ' ' ILE . 92.9 m -64.24 -37.85 88.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.563 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.433 HD12 ' N ' ' A' ' 63' ' ' LEU . 8.6 mp -75.29 -24.72 57.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.535 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.9 ttpm? -84.26 -36.66 22.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.596 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.435 ' O ' ' OE2' ' A' ' 69' ' ' GLU . 99.6 mtt180 -68.5 -44.48 74.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.63 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.438 HG22 ' O ' ' A' ' 62' ' ' CYS . 20.7 tt -76.46 -35.05 25.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.623 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.426 ' O ' ' CB ' ' A' ' 71' ' ' ASP . . . -61.0 -45.4 96.69 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.961 -0.855 . . . . 0.0 110.961 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -62.76 -34.32 76.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.8 0.333 . . . . 0.0 110.592 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.54 ' N ' ' OE1' ' A' ' 69' ' ' GLU . 0.3 OUTLIER -79.59 -58.49 3.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.629 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.15 -43.05 73.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.617 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.465 ' OD2' ' NH2' ' A' ' 34' ' ' ARG . 55.0 t0 -65.07 -8.76 17.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.585 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.5 t -96.38 7.18 47.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.541 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -93.13 111.44 23.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.572 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 68.9 mtt -68.24 -11.35 59.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.542 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -80.17 -67.39 0.77 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.622 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 7.9 tp -59.68 -40.4 87.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.614 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.74 -37.91 85.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.584 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 72.3 ttt180 -68.55 -45.01 73.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.51 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.43 ' SD ' HG23 ' A' ' 182' ' ' THR . 55.6 mtt -54.43 -43.93 71.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.599 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.64 ' O ' HG12 ' A' ' 83' ' ' VAL . 83.7 mt -62.39 -23.71 32.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.59 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -85.97 -18.68 31.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.608 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -86.55 -15.18 40.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.635 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.885 HG13 ' O ' ' A' ' 83' ' ' VAL . 7.4 p -89.72 82.99 2.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.568 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 50.4 p30 -41.28 162.04 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.549 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 80.3 p -119.24 120.32 36.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.629 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.594 ' HA ' ' HZ3' ' B' ' 144' ' ' TRP . 52.8 p-10 -148.67 -0.73 0.53 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.436 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.656 ' O ' HG12 ' A' ' 91' ' ' VAL . 39.1 t -175.27 86.9 0.31 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.459 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.504 ' O ' ' HB2' ' A' ' 92' ' ' PHE . 31.9 Cg_endo -67.16 -16.0 47.74 Favored 'Trans proline' 0 C--N 1.306 -1.684 0 C-N-CA 122.798 2.332 . . . . 0.0 112.049 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 17.8 ptt-85 -85.7 -35.38 20.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.488 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -77.79 -58.05 3.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.495 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.665 HG13 ' N ' ' A' ' 92' ' ' PHE . 10.1 p -57.02 -51.54 67.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.577 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.665 ' N ' HG13 ' A' ' 91' ' ' VAL . 30.4 t80 -45.7 -52.64 10.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.498 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -67.64 -30.44 70.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.521 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.777 ' NE ' ' HE1' ' A' ' 188' ' ' TRP . 24.7 ttp180 -71.3 -57.93 4.0 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.566 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.624 HG23 ' N ' ' A' ' 96' ' ' ALA . 27.9 m -59.51 -48.26 87.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.535 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.624 ' N ' HG23 ' A' ' 95' ' ' VAL . . . -54.84 -27.71 44.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.579 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -81.85 -38.98 24.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.506 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.41 ' O ' ' C ' ' A' ' 99' ' ' MET . 99.5 m-20 -63.07 -38.71 92.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.567 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . 0.537 ' HB2' HH21 ' A' ' 109' ' ' ARG . 64.6 mtt -38.43 -68.86 0.14 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.552 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.594 ' CD2' ' O ' ' A' ' 100' ' ' PHE . 15.8 p90 -111.27 57.6 0.62 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.617 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.2 t -74.74 -26.76 60.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.588 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.553 ' O ' ' C ' ' A' ' 103' ' ' GLY . 55.1 p-10 -155.59 -18.44 0.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.587 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.553 ' C ' ' O ' ' A' ' 102' ' ' ASP . . . -26.33 -80.73 0.01 OUTLIER Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . 0.608 ' O ' ' CG ' ' A' ' 105' ' ' PHE . 8.7 m-20 174.52 34.41 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.749 0.309 . . . . 0.0 110.504 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.608 ' CG ' ' O ' ' A' ' 104' ' ' ASN . 30.6 p90 42.69 29.14 0.15 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.543 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.52 ' O ' ' HB2' ' A' ' 107' ' ' TRP . 27.2 p30 -52.28 -110.41 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.575 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' TRP . . . . . 0.546 ' NE1' HG21 ' A' ' 110' ' ' VAL . 6.8 t90 174.58 -26.11 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.552 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.591 ' O ' HG12 ' A' ' 111' ' ' VAL . . . -50.19 -42.03 40.03 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.537 HH21 ' HB2' ' A' ' 99' ' ' MET . 0.0 OUTLIER -48.17 -26.04 1.74 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.779 0.323 . . . . 0.0 110.51 179.939 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.546 HG21 ' NE1' ' A' ' 107' ' ' TRP . 34.0 t -52.65 -57.87 3.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.533 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.591 HG12 ' O ' ' A' ' 108' ' ' GLY . 4.8 p -45.34 -46.74 3.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.55 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.581 ' N ' HG13 ' A' ' 111' ' ' VAL . . . -58.09 -35.02 70.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.555 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.668 ' O ' HD23 ' A' ' 113' ' ' LEU . 1.9 tt -56.92 -46.73 81.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.513 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.459 ' CZ ' ' CG1' ' A' ' 110' ' ' VAL . 9.6 m-85 -57.19 -44.04 83.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.559 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 92.6 t80 -68.13 -43.36 78.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.58 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.45 ' CE2' HG21 ' A' ' 95' ' ' VAL . 92.9 t80 -59.26 -41.78 89.65 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.586 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.518 ' O ' HG23 ' A' ' 121' ' ' VAL . . . -70.99 -32.55 69.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.555 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 4.9 t -48.73 -44.1 38.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.503 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.813 ' O ' ' CB ' ' A' ' 123' ' ' LYS . 56.1 mmtt -60.05 -43.55 95.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.539 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 52.2 mt -68.38 -30.6 69.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.524 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.714 HG13 HG23 ' A' ' 133' ' ' ILE . 52.8 t -77.7 -53.34 14.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.57 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.474 HD22 ' CB ' ' A' ' 35' ' ' ALA . 70.2 mt -73.04 -40.73 64.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.553 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.813 ' CB ' ' O ' ' A' ' 119' ' ' LYS . 41.6 tptt -58.27 -41.19 83.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.539 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.466 ' O ' ' OG1' ' A' ' 127' ' ' THR . . . -75.83 -20.54 58.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.572 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 5.8 tt -64.56 -30.77 71.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.534 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . 0.467 ' SG ' ' N ' ' A' ' 127' ' ' THR . 13.9 p -84.6 -35.27 22.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.555 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.564 ' O ' ' CB ' ' A' ' 128' ' ' LYS . 40.4 p -54.61 -17.54 3.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.603 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.564 ' CB ' ' O ' ' A' ' 127' ' ' THR . 24.4 ttpt 85.79 46.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.571 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.539 ' CG2' ' OG1' ' A' ' 127' ' ' THR . 0.2 OUTLIER -148.15 86.91 5.89 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.603 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -69.3 -14.41 37.5 Favored 'Trans proline' 0 C--N 1.306 -1.669 0 C-N-CA 122.813 2.342 . . . . 0.0 112.027 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -64.6 -42.0 95.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.523 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 8.5 mp -60.1 -33.99 72.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.509 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.714 HG23 HG13 ' A' ' 121' ' ' VAL . 21.5 mm -57.05 -50.08 77.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.488 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 83.6 mtp180 -69.14 -34.88 75.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.456 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 7.3 m -67.25 -31.96 72.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.504 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.422 HG21 ' CG2' ' A' ' 121' ' ' VAL . 44.9 mt -69.69 -58.78 4.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.564 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . 0.459 ' SD ' ' NE2' ' A' ' 28' ' ' GLN . 47.0 ttp -46.44 -25.59 0.69 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.552 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -68.61 -40.49 85.88 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' TRP . . . . . 0.515 ' CD1' ' N ' ' A' ' 139' ' ' TRP . 12.7 m0 -66.34 -24.45 66.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.848 0.356 . . . . 0.0 110.565 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' THR . . . . . 0.468 ' OG1' ' N ' ' A' ' 141' ' ' LEU . 24.1 p -75.49 -65.84 0.84 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.501 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.468 ' N ' ' OG1' ' A' ' 140' ' ' THR . 4.1 tp -51.77 -33.65 36.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.558 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -65.84 -51.0 62.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.5 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -66.85 -38.81 87.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.55 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.565 HD12 ' HB2' ' A' ' 148' ' ' LEU . 1.7 tp -71.16 -35.48 71.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.518 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 59.0 ttp180 -83.08 -10.56 58.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.539 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -112.05 -4.73 14.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.59 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . 1.152 ' O ' ' N ' ' A' ' 149' ' ' LEU . 17.1 mtp180 -142.11 -110.9 0.13 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.581 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . 0.813 ' H ' HD22 ' A' ' 148' ' ' LEU . 1.0 OUTLIER -15.35 -27.75 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.589 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . 1.152 ' N ' ' O ' ' A' ' 147' ' ' ARG . 44.4 tp -49.04 -56.35 9.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.559 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -63.89 -50.7 59.24 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 151' ' ' TRP . . . . . . . . . . . . . 99.6 m95 -66.24 -55.91 13.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.768 0.318 . . . . 0.0 110.538 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 152' ' ' ILE . . . . . 0.699 ' N ' ' O ' ' A' ' 148' ' ' LEU . 10.3 tt -51.22 -34.33 14.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.585 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 56.3 tt0 -67.49 -31.12 71.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.61 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . 0.436 ' O ' ' OD1' ' A' ' 154' ' ' ASP . 51.3 t0 -89.23 -4.54 58.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.56 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -97.49 0.76 48.14 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.542 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 83.74 24.65 48.95 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 89.77 -160.36 28.73 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.946 -0.861 . . . . 0.0 110.946 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 158' ' ' TRP . . . . . 0.46 ' CD1' HD11 ' A' ' 152' ' ' ILE . 36.0 m95 -73.95 -5.69 42.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.793 0.33 . . . . 0.0 110.514 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -60.92 -42.36 97.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.611 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -54.54 -32.05 52.84 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . 0.579 HD23 ' O ' ' A' ' 161' ' ' LEU . 2.1 tt -63.01 -54.07 44.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.812 0.339 . . . . 0.0 110.524 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 5.9 tp -67.15 -30.94 71.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.589 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 5.3 t -66.9 -26.04 66.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.533 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 93.6 t80 -76.93 -42.53 38.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.543 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -71.68 48.07 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.621 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -131.11 39.16 1.82 Allowed Glycine 0 CA--C 1.526 0.759 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 167' ' ' THR . . . . . 0.992 ' OG1' ' HD2' ' A' ' 168' ' ' PRO . 0.6 OUTLIER -108.52 178.7 0.99 Allowed Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 120.969 0.414 . . . . 0.0 110.498 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 168' ' ' PRO . . . . . 0.992 ' HD2' ' OG1' ' A' ' 167' ' ' THR . 42.8 Cg_endo -71.45 -144.94 0.02 OUTLIER 'Trans proline' 0 C--N 1.306 -1.659 0 C-N-CA 122.754 2.302 . . . . 0.0 112.122 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 169' ' ' THR . . . . . 0.58 ' C ' ' O ' ' A' ' 168' ' ' PRO . 19.9 p -24.24 102.5 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.537 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 170' ' ' TRP . . . . . 0.692 ' O ' HG22 ' A' ' 173' ' ' VAL . 29.3 p90 -65.57 -18.54 65.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.579 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 171' ' ' GLN . . . . . 0.526 ' NE2' ' OG1' ' A' ' 172' ' ' THR . 5.4 pp0? -47.34 -14.17 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.545 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 172' ' ' THR . . . . . 0.526 ' OG1' ' NE2' ' A' ' 171' ' ' GLN . 5.0 m -86.82 -29.46 22.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.632 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 173' ' ' VAL . . . . . 0.692 HG22 ' O ' ' A' ' 170' ' ' TRP . 2.0 m -72.08 -45.74 61.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.581 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 174' ' ' THR . . . . . 0.562 ' N ' ' CG2' ' A' ' 173' ' ' VAL . 25.1 m -64.47 -25.01 67.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.598 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 175' ' ' ILE . . . . . 0.557 ' O ' HG22 ' A' ' 175' ' ' ILE . 88.9 mt -85.71 -7.49 10.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.607 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 176' ' ' PHE . . . . . 0.483 ' O ' HG12 ' A' ' 180' ' ' VAL . 63.5 t80 -94.68 -60.05 1.79 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.534 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 3.3 m -62.11 -16.7 16.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.533 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 178' ' ' ALA . . . . . 0.614 ' O ' ' OG1' ' A' ' 182' ' ' THR . . . -95.59 -45.95 6.84 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.562 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -62.34 -26.14 67.58 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 180' ' ' VAL . . . . . 0.698 HG13 ' N ' ' A' ' 181' ' ' LEU . 13.7 p -86.23 -51.77 12.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.886 0.374 . . . . 0.0 110.604 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . 0.698 ' N ' HG13 ' A' ' 180' ' ' VAL . 42.5 tp -69.25 -48.03 63.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.544 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 182' ' ' THR . . . . . 0.614 ' OG1' ' O ' ' A' ' 178' ' ' ALA . 26.8 m -50.54 -51.35 48.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.573 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -47.33 -45.74 24.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.562 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 184' ' ' SER . . . . . . . . . . . . . 27.5 t -54.4 -37.92 65.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.574 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 62.6 mt -77.67 -21.6 51.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.529 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 20.9 m -73.29 -44.87 58.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.557 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 187' ' ' ILE . . . . . 0.636 HG23 ' N ' ' A' ' 188' ' ' TRP . 12.2 tt -73.68 -51.61 24.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.56 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 188' ' ' TRP . . . . . 0.777 ' HE1' ' NE ' ' A' ' 94' ' ' ARG . 7.0 t90 -30.75 -56.95 0.22 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.541 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 7.5 mmtt -175.68 128.29 0.25 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.564 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 190' ' ' LYS . . . . . . . . . . . . . 14.8 ptmt -110.0 89.6 3.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.534 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 191' ' ' MET . . . . . . . . . . . . . 84.3 mtp -128.62 136.56 50.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.503 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.693 0 CA-C-O 118.007 -1.441 . . . . 0.0 110.941 -179.99 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 130' ' ' CYS . . . . . 0.502 ' O ' ' O ' ' B' ' 131' ' ' GLU . 19.4 p . . . . . 0 N--CA 1.49 1.53 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 131' ' ' GLU . . . . . 0.502 ' O ' ' O ' ' B' ' 130' ' ' CYS . 17.1 pt-20 -48.73 -174.77 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.544 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . 53.26 -166.94 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.572 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 133' ' ' LEU . . . . . 0.603 HD22 ' N ' ' B' ' 133' ' ' LEU . 4.0 mm? -78.58 121.17 24.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.617 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 134' ' ' LYS . . . . . . . . . . . . . 26.5 tptp -51.55 -44.36 62.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.598 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 135' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -139.37 -91.83 0.18 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.567 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 136' ' ' ALA . . . . . 0.416 ' C ' HD12 ' B' ' 137' ' ' LEU . . . 49.29 85.19 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.596 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 137' ' ' LEU . . . . . 0.591 ' N ' HD12 ' B' ' 137' ' ' LEU . 10.1 mp -99.54 161.39 13.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.561 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 138' ' ' ARG . . . . . 0.487 ' O ' ' HB2' ' B' ' 142' ' ' PHE . 31.9 ptt180 -57.4 -3.33 0.16 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.586 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 139' ' ' ARG . . . . . 0.5 ' H ' ' C ' ' B' ' 137' ' ' LEU . 88.2 mtm180 -62.53 -44.18 96.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.592 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 140' ' ' HIS . . . . . 0.745 ' O ' ' N ' ' B' ' 143' ' ' LEU . 97.6 m-70 -79.58 -66.81 0.82 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.559 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 141' ' ' ARG . . . . . 0.495 ' C ' ' O ' ' B' ' 140' ' ' HIS . 59.6 ttm-85 -32.88 -30.53 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.554 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 142' ' ' PHE . . . . . 0.614 ' N ' ' O ' ' B' ' 140' ' ' HIS . 9.5 m-85 -94.32 -27.4 16.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.529 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 143' ' ' LEU . . . . . 0.745 ' N ' ' O ' ' B' ' 140' ' ' HIS . 34.7 tp -61.73 -31.82 72.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.557 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 144' ' ' TRP . . . . . 0.594 ' HZ3' ' HA ' ' A' ' 86' ' ' ASP . 65.3 t-105 -89.47 -52.22 5.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.555 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 145' ' ' GLN . . . . . 0.422 ' C ' ' O ' ' B' ' 144' ' ' TRP . 14.6 tt0 -37.31 -68.21 0.16 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.554 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 146' ' ' ARG . . . . . . . . . . . . . 90.0 mtm180 39.82 -106.63 0.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.551 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 147' ' ' ARG . . . . . . . . . . . . . 16.9 ptp180 -82.69 137.16 34.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.497 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 148' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -65.29 -40.99 94.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.55 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -155.77 133.21 10.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.552 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 150' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.444 0 CA-C-O 117.938 -1.029 . . . . 0.0 110.637 179.951 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.4 ptt? . . . . . 0 N--CA 1.49 1.575 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.825 ' OD1' ' N ' ' A' ' 3' ' ' GLY . 53.2 p-10 -56.63 -52.98 62.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.482 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.825 ' N ' ' OD1' ' A' ' 2' ' ' ASP . . . 89.38 -73.83 2.03 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.7 m -158.04 -24.89 0.08 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.864 0.364 . . . . 0.0 110.613 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 171.92 -147.87 10.43 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.944 ' O ' ' HB3' ' A' ' 7' ' ' GLN . 7.5 tp10 -136.43 105.64 6.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.829 0.347 . . . . 0.0 110.515 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.962 ' O ' ' HG3' ' A' ' 7' ' ' GLN . 5.5 tp-100 97.61 59.22 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.426 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.606 ' HD3' ' H ' ' A' ' 7' ' ' GLN . 53.4 Cg_exo -46.84 -178.24 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.741 0 C-N-CA 122.891 2.394 . . . . 0.0 112.134 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.416 ' C ' ' O ' ' A' ' 8' ' ' PRO . 34.1 mtp180 -38.76 130.41 1.43 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.381 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' A' ' 11' ' ' GLY . . . -141.89 -12.35 0.48 Allowed Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.179 -0.768 . . . . 0.0 111.179 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 10' ' ' GLY . . . 38.91 45.04 2.06 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.844 -0.902 . . . . 0.0 110.844 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -149.85 -80.91 0.03 OUTLIER Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.751 -0.94 . . . . 0.0 110.751 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.605 ' O ' ' N ' ' A' ' 15' ' ' SER . 57.8 Cg_exo -46.8 -43.57 23.5 Favored 'Trans proline' 0 C--N 1.304 -1.771 0 C-N-CA 122.765 2.31 . . . . 0.0 112.033 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.746 ' O ' ' N ' ' A' ' 16' ' ' SER . 70.9 p -60.81 65.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.613 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.823 ' O ' HD12 ' A' ' 19' ' ' ILE . 18.5 p -28.35 82.15 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.545 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.746 ' N ' ' O ' ' A' ' 14' ' ' THR . 57.7 m -92.58 -16.59 25.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.545 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -93.11 -47.28 7.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.536 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.632 HE22 ' CG2' ' A' ' 22' ' ' THR . 3.2 tm0? -59.73 -31.32 69.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.416 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.823 HD12 ' O ' ' A' ' 15' ' ' SER . 68.2 mt -75.66 -51.67 20.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.511 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 52.0 ttp -56.9 -36.41 70.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.624 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -67.92 -44.05 77.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.638 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.632 ' CG2' HE22 ' A' ' 18' ' ' GLN . 41.1 p -72.73 -13.48 61.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.58 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -74.86 -54.28 5.92 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.34 -10.33 59.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.756 0.313 . . . . 0.0 110.588 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.596 HD23 ' C ' ' A' ' 25' ' ' LEU . 6.6 tt -86.56 -78.4 0.29 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.556 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.53 ' C ' ' O ' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -29.17 -64.4 0.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.551 -179.952 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.408 ' O ' HG13 ' A' ' 31' ' ' ILE . 56.8 mt -52.47 -56.79 12.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.52 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.444 ' HA ' HD12 ' A' ' 31' ' ' ILE . 7.5 tp-100 -48.4 -18.02 0.2 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.575 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.532 ' O ' ' N ' ' A' ' 31' ' ' ILE . . . -88.63 -72.4 1.28 Allowed Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -42.51 -18.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.834 0.349 . . . . 0.0 110.58 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.532 ' N ' ' O ' ' A' ' 29' ' ' GLY . 94.2 mt -77.0 -69.02 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.568 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 43.7 tt0 -79.08 29.83 0.21 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.555 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.42 ' CG ' ' O ' ' A' ' 29' ' ' GLY . 97.9 m-20 -112.77 -51.17 2.85 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.548 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 -91.2 -26.98 18.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.528 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.47 ' CB ' HD22 ' A' ' 122' ' ' LEU . . . -99.21 -12.78 20.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.57 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -66.7 -36.4 91.21 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 46.1 ttm-85 50.58 -134.07 1.6 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.717 0.294 . . . . 0.0 110.554 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 14.6 tpp -155.73 143.97 20.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.503 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 73.16 20.04 79.81 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -63.91 -47.97 80.76 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 58.5 tt0 55.56 55.43 7.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.757 0.313 . . . . 0.0 110.531 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.608 ' N ' ' HD3' ' A' ' 43' ' ' PRO . . . 178.78 51.9 0.04 OUTLIER Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.634 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.608 ' HD3' ' N ' ' A' ' 42' ' ' ALA . 50.7 Cg_exo -49.09 100.22 0.04 OUTLIER 'Trans proline' 0 C--N 1.304 -1.765 0 C-N-CA 122.81 2.34 . . . . 0.0 112.106 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 63.2 mt-10 -88.61 -12.1 43.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.637 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.985 ' N ' HD22 ' A' ' 45' ' ' LEU . 0.4 OUTLIER -100.48 67.23 1.3 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.576 -179.946 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.404 ' O ' ' HB2' ' A' ' 47' ' ' LEU . . . -76.88 141.65 40.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.566 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.404 ' HB2' ' O ' ' A' ' 46' ' ' ALA . 23.5 tp 178.85 -69.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.535 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.453 ' O ' ' N ' ' A' ' 50' ' ' VAL . 27.3 p30 178.95 64.23 0.11 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.491 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_endo -64.27 64.53 0.24 Allowed 'Trans proline' 0 C--N 1.305 -1.747 0 C-N-CA 122.777 2.318 . . . . 0.0 112.06 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.453 ' N ' ' O ' ' A' ' 48' ' ' ASP . 3.0 t -138.52 70.63 45.48 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.539 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_endo -65.4 124.52 13.02 Favored 'Trans proline' 0 C--N 1.305 -1.761 0 C-N-CA 122.84 2.36 . . . . 0.0 112.157 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 -110.89 -57.98 2.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.541 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -73.29 140.37 46.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.614 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -86.4 -1.91 57.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.585 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 35.0 t -59.66 -39.71 85.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.603 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 41.0 p -82.7 -33.69 27.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.542 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -50.06 -54.81 17.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.554 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 31.0 ttpt -59.76 -47.99 83.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.621 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.61 HD21 ' HB2' ' A' ' 162' ' ' LEU . 6.5 mt -61.68 -26.25 67.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.564 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.6 t -71.44 -35.28 70.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.576 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -64.04 -31.57 72.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.538 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.446 ' O ' HG22 ' A' ' 66' ' ' ILE . 94.4 m -64.44 -37.67 88.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.593 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.463 HD12 ' N ' ' A' ' 63' ' ' LEU . 11.0 mp -75.5 -24.54 56.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.522 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.1 ttpm? -84.32 -36.53 22.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.625 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.439 ' O ' ' OE2' ' A' ' 69' ' ' GLU . 99.7 mtt180 -68.64 -44.45 74.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.558 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.446 HG22 ' O ' ' A' ' 62' ' ' CYS . 20.7 tt -76.48 -35.03 25.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.54 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.426 ' O ' ' CB ' ' A' ' 71' ' ' ASP . . . -61.04 -45.48 96.5 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.419 ' O ' ' OD1' ' A' ' 68' ' ' ASP . 67.8 t0 -62.69 -34.38 77.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.765 0.317 . . . . 0.0 110.54 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.542 ' N ' ' OE1' ' A' ' 69' ' ' GLU . 0.3 OUTLIER -79.6 -58.47 3.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.622 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.15 -43.0 73.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.575 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.426 ' CB ' ' O ' ' A' ' 67' ' ' GLY . 51.0 t0 -65.12 -8.71 17.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.546 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.4 t -96.41 7.14 47.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.63 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -93.05 111.5 23.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.542 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 58.4 mtt -68.27 -11.34 59.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.569 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -80.22 -67.38 0.77 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.591 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.7 tp -59.73 -40.3 87.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.575 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.943 ' NE2' HD21 ' B' ' 133' ' ' LEU . 14.4 tm0? -61.8 -37.96 86.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.571 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 75.3 ttt180 -68.41 -44.96 73.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.598 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.44 ' SD ' HG23 ' A' ' 182' ' ' THR . 65.2 mtp -54.51 -43.86 72.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.617 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.641 ' O ' HG12 ' A' ' 83' ' ' VAL . 84.8 mt -62.49 -23.6 32.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.569 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -86.12 -18.67 31.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.547 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -86.54 -15.36 40.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.577 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.873 HG13 ' O ' ' A' ' 83' ' ' VAL . 7.7 p -89.49 82.83 2.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.567 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.422 ' O ' ' O ' ' A' ' 83' ' ' VAL . 40.8 p-10 -40.62 162.52 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.581 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 23.0 p -119.87 119.89 34.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.56 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -148.62 -0.65 0.54 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.462 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.691 ' O ' HG12 ' A' ' 91' ' ' VAL . 36.3 t -175.51 87.42 0.3 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.493 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.512 ' O ' ' CB ' ' A' ' 92' ' ' PHE . 34.5 Cg_endo -67.76 -16.21 45.74 Favored 'Trans proline' 0 C--N 1.306 -1.702 0 C-N-CA 122.757 2.305 . . . . 0.0 112.068 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 36.8 ptt-85 -85.14 -35.74 21.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.497 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -78.0 -57.51 3.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.469 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.691 HG12 ' O ' ' A' ' 87' ' ' SER . 9.5 p -57.18 -51.42 69.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.548 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.658 ' N ' HG13 ' A' ' 91' ' ' VAL . 84.4 t80 -46.09 -52.31 12.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.481 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -67.56 -30.67 70.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.508 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 16.1 tpp180 -71.22 -58.14 3.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.539 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.626 HG23 ' N ' ' A' ' 96' ' ' ALA . 27.1 m -59.14 -48.22 87.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.495 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.626 ' N ' HG23 ' A' ' 95' ' ' VAL . . . -54.96 -27.69 45.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.532 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -81.94 -38.87 24.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.518 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 99' ' ' MET . 99.9 m-20 -63.16 -38.7 92.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.583 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . 0.537 ' HB2' HH21 ' A' ' 109' ' ' ARG . 61.9 mtt -38.3 -68.94 0.13 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.551 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.6 ' CD2' ' O ' ' A' ' 100' ' ' PHE . 16.4 p90 -111.28 57.64 0.62 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.594 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.2 t -74.8 -26.79 59.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.551 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.533 ' O ' ' C ' ' A' ' 103' ' ' GLY . 55.6 p-10 -155.63 -18.36 0.11 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.543 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.533 ' C ' ' O ' ' A' ' 102' ' ' ASP . . . -26.28 -80.73 0.01 OUTLIER Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . 0.605 ' O ' ' CG ' ' A' ' 105' ' ' PHE . 28.3 t-20 174.53 34.34 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.784 0.326 . . . . 0.0 110.605 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.605 ' CG ' ' O ' ' A' ' 104' ' ' ASN . 27.8 p90 42.7 29.0 0.14 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.614 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.523 ' O ' ' HB2' ' A' ' 107' ' ' TRP . 28.4 p30 -52.08 -110.47 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.609 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' TRP . . . . . 0.537 ' NE1' HG21 ' A' ' 110' ' ' VAL . 6.7 t90 174.61 -26.14 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.572 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.589 ' O ' HG12 ' A' ' 111' ' ' VAL . . . -50.12 -42.08 39.49 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.537 HH21 ' HB2' ' A' ' 99' ' ' MET . 0.0 OUTLIER -48.15 -26.05 1.73 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.775 0.321 . . . . 0.0 110.544 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.537 HG21 ' NE1' ' A' ' 107' ' ' TRP . 37.7 t -52.62 -57.86 3.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.561 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.589 HG12 ' O ' ' A' ' 108' ' ' GLY . 4.6 p -45.28 -46.77 3.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.563 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.579 ' N ' HG13 ' A' ' 111' ' ' VAL . . . -58.13 -34.98 70.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.592 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.662 ' O ' HD23 ' A' ' 113' ' ' LEU . 1.9 tt -56.94 -46.68 81.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.584 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.43 ' CZ ' ' CG1' ' A' ' 110' ' ' VAL . 10.2 m-85 -57.22 -43.99 83.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.616 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 90.7 t80 -68.15 -43.53 78.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.52 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.45 ' CE2' HG21 ' A' ' 95' ' ' VAL . 92.5 t80 -59.02 -41.92 88.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.566 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -70.93 -32.61 69.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.518 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 5.3 t -48.56 -44.23 36.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.605 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.82 ' O ' ' CB ' ' A' ' 123' ' ' LYS . 56.2 mmtt -59.98 -43.62 95.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.516 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 53.1 mt -68.03 -31.32 70.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.51 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.425 ' CG2' HG21 ' A' ' 136' ' ' ILE . 78.2 t -77.06 -53.66 14.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.523 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.47 HD22 ' CB ' ' A' ' 35' ' ' ALA . 68.4 mt -72.86 -40.91 65.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.515 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.82 ' CB ' ' O ' ' A' ' 119' ' ' LYS . 88.8 tttt -57.99 -41.11 82.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.567 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -75.73 -21.88 57.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.516 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 6.5 tt -63.04 -32.3 73.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.599 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 9.6 t -83.24 -35.48 25.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.605 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.747 ' O ' ' HB2' ' A' ' 128' ' ' LYS . 53.8 m -53.71 -19.23 3.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.574 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.747 ' HB2' ' O ' ' A' ' 127' ' ' THR . 54.4 mttp 87.51 45.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.531 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.517 HG23 ' O ' ' A' ' 129' ' ' VAL . 16.8 m -148.4 87.89 5.52 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.598 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -69.56 -15.04 37.62 Favored 'Trans proline' 0 C--N 1.304 -1.816 0 C-N-CA 122.799 2.333 . . . . 0.0 112.029 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -63.78 -41.73 97.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.498 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 9.3 mp -60.55 -34.18 73.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.481 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 99.7 mt -56.79 -50.06 76.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.507 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . 0.443 ' O ' ' HG3' ' A' ' 137' ' ' MET . 79.4 mtp85 -69.24 -34.83 75.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.457 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 7.1 m -67.24 -31.91 72.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.484 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.425 HG21 ' CG2' ' A' ' 121' ' ' VAL . 47.2 mt -69.68 -58.76 4.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.601 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . 0.48 ' C ' ' SD ' ' A' ' 137' ' ' MET . 0.0 OUTLIER -46.54 -25.46 0.69 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.504 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -68.73 -40.4 85.42 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.911 -0.875 . . . . 0.0 110.911 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' TRP . . . . . 0.511 ' CD1' ' N ' ' A' ' 139' ' ' TRP . 13.2 m0 -66.36 -24.46 66.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.809 0.338 . . . . 0.0 110.529 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' THR . . . . . 0.503 ' OG1' ' N ' ' A' ' 141' ' ' LEU . 15.8 p -75.49 -65.86 0.84 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.53 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.503 ' N ' ' OG1' ' A' ' 140' ' ' THR . 52.5 mt -51.76 -33.7 36.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.511 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -65.79 -50.99 62.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.5 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . 0.431 ' O ' ' HB2' ' A' ' 147' ' ' ARG . 5.6 t80 -66.84 -38.86 87.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.612 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.575 HD12 ' HB2' ' A' ' 148' ' ' LEU . 2.0 tp -71.09 -35.47 71.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.531 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 59.2 ttp180 -83.07 -10.6 58.62 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.537 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -111.97 -4.67 14.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.561 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . 1.152 ' O ' ' N ' ' A' ' 149' ' ' LEU . 12.2 mtp180 -142.17 -110.98 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.537 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . 0.807 ' H ' HD22 ' A' ' 148' ' ' LEU . 1.0 OUTLIER -15.37 -27.73 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.516 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . 1.152 ' N ' ' O ' ' A' ' 147' ' ' ARG . 42.4 tp -49.18 -56.26 9.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.509 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -63.97 -50.61 59.61 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 151' ' ' TRP . . . . . . . . . . . . . 99.9 m95 -66.32 -55.8 14.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.764 0.316 . . . . 0.0 110.544 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 152' ' ' ILE . . . . . 0.697 ' N ' ' O ' ' A' ' 148' ' ' LEU . 10.3 tt -51.28 -34.26 14.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.566 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . 0.429 ' OE1' ' HA ' ' A' ' 14' ' ' THR . 11.9 tp-100 -67.51 -31.3 71.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.561 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -89.07 -4.52 58.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.536 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -97.47 0.73 48.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.594 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 83.64 24.75 49.02 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 89.75 -160.32 28.73 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 158' ' ' TRP . . . . . 0.483 ' CD1' HD11 ' A' ' 152' ' ' ILE . 32.2 m95 -73.98 -5.62 42.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.775 0.322 . . . . 0.0 110.513 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -60.91 -42.42 98.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.564 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -54.41 -32.18 51.98 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . 0.593 HD23 ' O ' ' A' ' 161' ' ' LEU . 2.0 tt -62.95 -54.06 44.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.804 0.335 . . . . 0.0 110.555 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 162' ' ' LEU . . . . . 0.61 ' HB2' HD21 ' A' ' 59' ' ' LEU . 45.6 tp -67.09 -30.98 71.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.617 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 4.9 t -66.87 -26.12 66.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.599 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 93.9 t80 -76.79 -42.68 39.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.52 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -71.53 48.18 0.14 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.569 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -131.36 39.27 1.8 Allowed Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 167' ' ' THR . . . . . 1.029 ' OG1' ' HD2' ' A' ' 168' ' ' PRO . 0.6 OUTLIER -108.71 179.25 0.88 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 120.898 0.38 . . . . 0.0 110.584 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 168' ' ' PRO . . . . . 1.029 ' HD2' ' OG1' ' A' ' 167' ' ' THR . 46.3 Cg_endo -71.98 -146.44 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.733 0 C-N-CA 122.836 2.357 . . . . 0.0 112.091 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 169' ' ' THR . . . . . 0.592 ' C ' ' O ' ' A' ' 168' ' ' PRO . 38.1 p -22.91 102.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.502 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 170' ' ' TRP . . . . . 0.681 ' O ' HG22 ' A' ' 173' ' ' VAL . 26.0 p90 -65.3 -18.63 65.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.552 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 171' ' ' GLN . . . . . 0.54 ' NE2' ' OG1' ' A' ' 172' ' ' THR . 5.4 pp0? -46.9 -14.23 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.558 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 172' ' ' THR . . . . . 0.54 ' OG1' ' NE2' ' A' ' 171' ' ' GLN . 96.9 m -87.0 -29.53 21.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.574 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 173' ' ' VAL . . . . . 0.681 HG22 ' O ' ' A' ' 170' ' ' TRP . 2.0 m -72.05 -45.65 62.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.639 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 174' ' ' THR . . . . . 0.567 ' N ' ' CG2' ' A' ' 173' ' ' VAL . 24.7 m -64.59 -24.89 67.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.553 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 175' ' ' ILE . . . . . 0.515 HG22 ' O ' ' A' ' 172' ' ' THR . 1.6 tt -85.8 -7.5 10.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.561 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 176' ' ' PHE . . . . . 0.481 ' O ' HG12 ' A' ' 180' ' ' VAL . 64.8 t80 -94.67 -60.13 1.77 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.546 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 3.2 m -62.14 -16.63 16.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.604 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 178' ' ' ALA . . . . . 0.622 ' O ' ' OG1' ' A' ' 182' ' ' THR . . . -95.63 -45.88 6.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.485 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -62.39 -26.05 67.56 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 180' ' ' VAL . . . . . 0.7 HG13 ' N ' ' A' ' 181' ' ' LEU . 13.7 p -86.31 -51.78 12.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.856 0.36 . . . . 0.0 110.497 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . 0.7 ' N ' HG13 ' A' ' 180' ' ' VAL . 60.0 tp -69.27 -47.99 63.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.57 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 182' ' ' THR . . . . . 0.622 ' OG1' ' O ' ' A' ' 178' ' ' ALA . 25.9 m -50.48 -51.36 47.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.602 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -47.35 -45.68 25.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.599 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 184' ' ' SER . . . . . . . . . . . . . 27.9 t -54.57 -37.76 65.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.587 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 64.2 mt -77.68 -21.69 51.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.551 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 20.7 m -73.24 -44.83 58.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.59 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 187' ' ' ILE . . . . . 0.64 HG23 ' N ' ' A' ' 188' ' ' TRP . 12.5 tt -73.73 -51.66 23.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.584 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 188' ' ' TRP . . . . . 0.64 ' N ' HG23 ' A' ' 187' ' ' ILE . 0.2 OUTLIER -30.63 -56.99 0.21 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.622 179.936 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 7.8 mmtt -175.75 128.3 0.24 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.588 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 190' ' ' LYS . . . . . . . . . . . . . 14.2 ptmt -109.89 89.55 3.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.573 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 191' ' ' MET . . . . . . . . . . . . . 83.1 mtp -128.63 136.6 50.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.499 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.719 0 CA-C-O 118.031 -1.427 . . . . 0.0 110.957 179.991 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 130' ' ' CYS . . . . . . . . . . . . . 97.8 m . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 131' ' ' GLU . . . . . . . . . . . . . 82.1 mt-10 -68.0 -42.32 80.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.566 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -135.35 148.91 49.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.614 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 133' ' ' LEU . . . . . 0.943 HD21 ' NE2' ' A' ' 77' ' ' GLN . 9.1 mp -55.86 127.03 28.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.548 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 134' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -89.77 -11.42 42.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.538 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 135' ' ' LYS . . . . . 0.451 ' O ' ' O ' ' B' ' 136' ' ' ALA . 98.1 mttt -60.1 -48.71 80.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.549 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 136' ' ' ALA . . . . . 0.451 ' O ' ' O ' ' B' ' 135' ' ' LYS . . . 47.41 99.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.544 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 137' ' ' LEU . . . . . 0.588 ' N ' HD12 ' B' ' 137' ' ' LEU . 9.6 mp -79.47 144.05 34.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.527 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 138' ' ' ARG . . . . . 0.544 ' O ' ' HB2' ' B' ' 142' ' ' PHE . 50.1 ttp180 -106.08 -7.99 17.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.548 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 139' ' ' ARG . . . . . 0.516 HH21 HD23 ' B' ' 137' ' ' LEU . 84.1 mtm180 -59.37 -42.51 91.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.579 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 140' ' ' HIS . . . . . 0.779 ' O ' ' N ' ' B' ' 143' ' ' LEU . 10.5 p80 -83.78 -67.71 0.77 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.5 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 141' ' ' ARG . . . . . 0.693 ' H ' ' CG ' ' B' ' 140' ' ' HIS . 58.7 ttp180 -31.67 -29.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.6 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 142' ' ' PHE . . . . . 0.658 ' N ' ' O ' ' B' ' 140' ' ' HIS . 3.7 m-85 -95.0 -27.76 15.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.457 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 143' ' ' LEU . . . . . 0.779 ' N ' ' O ' ' B' ' 140' ' ' HIS . 6.9 tp -61.36 -32.39 72.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.501 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 144' ' ' TRP . . . . . 0.439 ' O ' ' C ' ' B' ' 145' ' ' GLN . 63.1 t-105 -88.17 -53.72 4.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.585 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 145' ' ' GLN . . . . . 0.439 ' C ' ' O ' ' B' ' 144' ' ' TRP . 2.5 tm0? -36.19 -66.79 0.19 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.555 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 146' ' ' ARG . . . . . . . . . . . . . 60.6 ttt85 -77.92 130.55 36.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.57 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 147' ' ' ARG . . . . . . . . . . . . . 31.6 ptt180 -61.17 129.35 40.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.639 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 148' ' ' GLN . . . . . 0.476 ' C ' ' H ' ' B' ' 150' ' ' ALA . 5.9 tp-100 -65.82 -30.99 71.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.609 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 66.8 ttt180 62.67 -1.19 0.47 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.592 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 150' ' ' ALA . . . . . 0.476 ' H ' ' C ' ' B' ' 148' ' ' GLN . . . . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 117.993 -1.003 . . . . 0.0 110.592 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.9 ptt? . . . . . 0 N--CA 1.491 1.597 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 55.7 p30 -85.96 3.05 43.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.536 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 58.65 -131.54 52.1 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 74.5 m -62.22 -40.47 96.21 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.851 0.358 . . . . 0.0 110.591 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 179.02 -177.15 48.38 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 52.8 tp10 -138.18 132.94 32.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.851 0.358 . . . . 0.0 110.521 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.407 ' N ' ' CD ' ' A' ' 8' ' ' PRO . 9.0 tp-100 47.69 56.83 17.83 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.567 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.407 ' CD ' ' N ' ' A' ' 7' ' ' GLN . 49.6 Cg_endo -69.85 151.23 68.47 Favored 'Trans proline' 0 C--N 1.305 -1.734 0 C-N-CA 122.919 2.413 . . . . 0.0 112.099 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 85.2 mtp180 -70.41 144.12 51.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.521 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -61.16 -40.25 98.3 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 58.95 -131.12 51.89 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.835 -0.906 . . . . 0.0 110.835 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -179.87 -176.65 47.48 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.699 ' O ' ' C ' ' A' ' 14' ' ' THR . 50.0 Cg_exo -49.37 -94.82 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.734 0 C-N-CA 122.824 2.349 . . . . 0.0 112.035 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.699 ' C ' ' O ' ' A' ' 13' ' ' PRO . 25.8 p -3.99 89.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.446 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.998 ' O ' ' CD1' ' A' ' 19' ' ' ILE . 5.8 p -135.17 -152.79 0.48 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.652 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 56.4 m -98.73 -16.46 18.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.617 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -83.49 -48.46 10.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.625 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 58.2 tt0 -66.4 -22.54 66.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.609 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.998 ' CD1' ' O ' ' A' ' 15' ' ' SER . 69.0 mt -82.11 -56.13 6.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.613 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 60.8 ttp -52.38 -36.87 54.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.451 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 27.4 mmtp -66.91 -46.67 74.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.558 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.479 HG22 ' O ' ' A' ' 22' ' ' THR . 56.6 m -71.95 -7.44 48.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.582 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -79.91 -54.04 4.03 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.563 ' O ' ' OE1' ' A' ' 28' ' ' GLN . . . -78.43 -9.11 59.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.782 0.325 . . . . 0.0 110.516 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.617 HD23 ' C ' ' A' ' 25' ' ' LEU . 5.3 tt -86.71 -81.14 0.23 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.562 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.613 HD22 ' OG1' ' A' ' 56' ' ' THR . 0.1 OUTLIER -26.47 -65.95 0.06 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.53 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.555 ' O ' HG12 ' A' ' 31' ' ' ILE . 11.0 mp -51.08 -58.02 7.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.577 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.585 ' OE1' ' N ' ' A' ' 28' ' ' GLN . 4.1 mp0 -47.38 -17.93 0.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.529 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.543 ' O ' ' N ' ' A' ' 31' ' ' ILE . . . -88.76 -72.87 1.28 Allowed Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 42.8 t80 -42.03 -18.84 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.727 0.299 . . . . 0.0 110.579 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.555 HG12 ' O ' ' A' ' 27' ' ' LEU . 31.7 mm -76.97 -69.3 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.532 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.414 ' O ' ' CD ' ' A' ' 32' ' ' GLN . 0.0 OUTLIER -78.82 30.07 0.2 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.59 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.416 ' H ' ' C ' ' A' ' 31' ' ' ILE . 64.8 t0 -112.96 -50.97 2.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.63 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.486 ' NH2' ' OD2' ' A' ' 71' ' ' ASP . 15.9 ptm180 -91.4 -27.0 18.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.586 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.517 ' O ' ' N ' ' A' ' 37' ' ' ARG . . . -99.23 -12.64 20.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.531 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -59.5 76.32 0.01 OUTLIER Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.517 ' N ' ' O ' ' A' ' 35' ' ' ALA . 87.4 mtm180 -66.02 -35.94 81.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.872 0.368 . . . . 0.0 110.613 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.428 ' O ' ' O ' ' A' ' 37' ' ' ARG . 53.9 ttp 57.59 155.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.585 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 100.51 -11.25 59.66 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -80.82 -160.14 23.16 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -64.79 -56.14 15.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.791 0.329 . . . . 0.0 110.525 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -168.72 147.17 3.53 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.57 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -49.22 136.18 30.93 Favored 'Trans proline' 0 C--N 1.305 -1.737 0 C-N-CA 122.818 2.345 . . . . 0.0 112.105 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -91.33 -13.54 32.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.517 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 1.032 ' N ' HD22 ' A' ' 45' ' ' LEU . 0.2 OUTLIER -99.7 68.28 1.53 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.622 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.753 ' HB3' HH22 ' A' ' 134' ' ' ARG . . . -75.33 137.27 41.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.634 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.607 ' O ' ' C ' ' A' ' 48' ' ' ASP . 1.1 mt 161.7 -145.29 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.583 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.607 ' C ' ' O ' ' A' ' 47' ' ' LEU . 1.5 m-20 21.76 88.89 0.06 OUTLIER Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.477 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -68.26 -23.84 38.41 Favored 'Trans proline' 0 C--N 1.305 -1.759 0 C-N-CA 122.796 2.331 . . . . 0.0 112.323 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.597 HG22 ' O ' ' A' ' 50' ' ' VAL . 3.5 p -166.07 75.27 1.23 Allowed Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.791 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.525 ' HG3' ' HB3' ' A' ' 48' ' ' ASP . 25.1 Cg_exo -58.94 167.62 5.34 Favored 'Trans proline' 0 C--N 1.304 -1.768 0 C-N-CA 122.754 2.303 . . . . 0.0 111.917 179.771 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.775 ' O ' ' OD2' ' A' ' 53' ' ' ASP . 13.4 pt20 174.35 -176.5 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.647 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.775 ' OD2' ' O ' ' A' ' 52' ' ' GLN . 0.4 OUTLIER 73.83 115.16 0.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.487 179.93 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -72.88 -6.56 45.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.566 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 84.5 p -57.68 -39.02 76.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.562 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.613 ' OG1' HD22 ' A' ' 26' ' ' LEU . 9.0 t -82.67 -33.85 27.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.525 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 55.2 tttp -50.46 -54.59 20.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.546 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 29.5 ttpt -60.19 -47.46 85.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.576 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.627 HD23 ' O ' ' A' ' 59' ' ' LEU . 0.8 OUTLIER -62.15 -26.38 68.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.577 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 6.1 t -71.3 -35.46 71.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.548 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -63.72 -31.77 73.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.556 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.425 ' O ' HG22 ' A' ' 66' ' ' ILE . 93.7 m -64.27 -37.78 88.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.59 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.451 HD12 ' N ' ' A' ' 63' ' ' LEU . 10.6 mp -75.35 -24.69 57.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.572 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -84.21 -36.68 22.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.589 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.435 ' O ' ' OE2' ' A' ' 69' ' ' GLU . 94.9 mtt180 -68.47 -44.44 74.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.632 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.425 HG22 ' O ' ' A' ' 62' ' ' CYS . 20.4 tt -76.47 -35.07 25.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.55 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.426 ' O ' ' CB ' ' A' ' 71' ' ' ASP . . . -61.08 -45.36 96.74 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.969 -0.853 . . . . 0.0 110.969 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.461 ' O ' ' OD1' ' A' ' 68' ' ' ASP . 67.7 t0 -62.79 -34.32 77.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.767 0.317 . . . . 0.0 110.512 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.545 ' N ' ' OE1' ' A' ' 69' ' ' GLU . 0.3 OUTLIER -79.57 -58.55 3.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.584 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.482 HD22 HD23 ' A' ' 76' ' ' LEU . 1.3 mt -55.13 -43.07 73.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.549 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.486 ' OD2' ' NH2' ' A' ' 34' ' ' ARG . 53.8 t0 -65.08 -8.71 17.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.561 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.5 t -96.4 7.03 47.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.574 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -92.97 111.5 23.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.485 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 80.3 mmm -68.29 -11.26 59.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.535 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 -80.34 -67.22 0.79 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.578 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.482 HD23 HD22 ' A' ' 70' ' ' LEU . 58.4 tp -59.82 -40.34 88.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.627 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.697 ' NE2' ' CD ' ' B' ' 134' ' ' LYS . 58.5 tt0 -61.76 -37.87 85.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.585 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 74.6 ttt180 -68.5 -44.93 73.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.568 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.484 ' SD ' HG23 ' A' ' 182' ' ' THR . 74.2 mtp -54.5 -43.99 72.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.55 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.413 ' O ' ' CG1' ' A' ' 83' ' ' VAL . 87.0 mt -62.28 -23.8 33.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.616 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -85.91 -18.72 31.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.623 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -86.5 -15.32 40.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.587 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.653 ' O ' HG22 ' A' ' 83' ' ' VAL . 1.7 p -89.5 82.89 2.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.494 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.422 ' N ' ' OD1' ' A' ' 84' ' ' ASP . 33.1 p-10 -41.08 162.08 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.583 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 77.9 p -119.23 119.77 35.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.586 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 53.3 p-10 -148.18 -0.79 0.58 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.447 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.664 ' O ' HG12 ' A' ' 91' ' ' VAL . 33.2 t -175.42 87.32 0.3 Allowed Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.489 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.502 ' O ' ' CB ' ' A' ' 92' ' ' PHE . 33.3 Cg_endo -67.54 -16.12 46.46 Favored 'Trans proline' 0 C--N 1.304 -1.764 0 C-N-CA 122.825 2.35 . . . . 0.0 112.103 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 34.4 ptt-85 -84.91 -36.3 21.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.563 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -77.21 -58.75 3.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.529 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.672 HG13 ' N ' ' A' ' 92' ' ' PHE . 10.3 p -55.99 -52.19 52.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.459 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.672 ' N ' HG13 ' A' ' 91' ' ' VAL . 81.2 t80 -45.31 -52.83 9.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.556 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 81.1 t80 -67.72 -30.15 69.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.488 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.753 ' NE ' ' HE1' ' A' ' 188' ' ' TRP . 27.2 ttp180 -71.74 -57.25 4.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.544 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.625 HG23 ' N ' ' A' ' 96' ' ' ALA . 26.4 m -60.19 -47.97 89.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.48 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.625 ' N ' HG23 ' A' ' 95' ' ' VAL . . . -54.99 -27.74 46.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.542 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -81.72 -38.91 25.04 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.578 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 99' ' ' MET . 99.3 m-20 -63.21 -38.64 91.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.546 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . 0.551 ' HB2' HH21 ' A' ' 109' ' ' ARG . 65.0 mtt -38.36 -68.88 0.14 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.567 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.605 ' CD2' ' O ' ' A' ' 100' ' ' PHE . 16.3 p90 -111.24 57.53 0.62 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.604 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.2 t -74.71 -26.78 60.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.575 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.538 ' O ' ' C ' ' A' ' 103' ' ' GLY . 54.3 p-10 -155.61 -18.35 0.11 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.512 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.538 ' C ' ' O ' ' A' ' 102' ' ' ASP . . . -26.36 -80.7 0.01 OUTLIER Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . 0.605 ' O ' ' CG ' ' A' ' 105' ' ' PHE . 28.7 t-20 174.52 34.4 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.821 0.343 . . . . 0.0 110.617 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.605 ' CG ' ' O ' ' A' ' 104' ' ' ASN . 27.5 p90 42.58 29.13 0.14 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.577 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.519 ' O ' ' HB2' ' A' ' 107' ' ' TRP . 27.6 p30 -52.1 -110.45 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.542 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' TRP . . . . . 0.548 ' NE1' HG21 ' A' ' 110' ' ' VAL . 6.8 t90 174.57 -26.16 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.534 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.59 ' O ' HG12 ' A' ' 111' ' ' VAL . . . -50.17 -42.12 39.96 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.551 HH21 ' HB2' ' A' ' 99' ' ' MET . 0.0 OUTLIER -48.13 -26.06 1.72 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.762 0.315 . . . . 0.0 110.527 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.548 HG21 ' NE1' ' A' ' 107' ' ' TRP . 36.6 t -52.61 -57.88 3.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.481 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.59 HG12 ' O ' ' A' ' 108' ' ' GLY . 4.7 p -45.33 -46.73 3.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.538 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.58 ' N ' HG13 ' A' ' 111' ' ' VAL . . . -58.07 -35.04 70.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.556 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.673 ' O ' HD23 ' A' ' 113' ' ' LEU . 2.1 tt -56.94 -46.72 81.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.513 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.445 ' CZ ' ' CG1' ' A' ' 110' ' ' VAL . 9.9 m-85 -57.19 -44.07 83.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.577 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 91.9 t80 -67.98 -43.58 78.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.57 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.447 ' CE2' HG21 ' A' ' 95' ' ' VAL . 92.5 t80 -59.11 -41.85 89.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.643 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.466 ' O ' HG23 ' A' ' 121' ' ' VAL . . . -70.94 -32.52 69.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.575 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 4.8 t -48.62 -44.25 37.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.531 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.816 ' O ' ' CB ' ' A' ' 123' ' ' LYS . 54.9 mmtt -60.0 -43.66 95.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.54 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 55.2 mt -68.08 -31.06 70.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.547 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.723 HG13 HG23 ' A' ' 133' ' ' ILE . 57.7 t -77.28 -53.54 14.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.546 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.471 HD22 ' CB ' ' A' ' 35' ' ' ALA . 69.7 mt -72.93 -40.83 65.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.547 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.816 ' CB ' ' O ' ' A' ' 119' ' ' LYS . 64.4 tttm -58.13 -41.09 82.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.572 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.513 ' O ' ' OG1' ' A' ' 127' ' ' THR . . . -75.88 -21.17 57.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.602 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 6.2 tt -63.89 -31.47 72.66 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.574 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 8.4 t -84.35 -34.77 23.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.573 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.724 ' O ' ' HB2' ' A' ' 128' ' ' LYS . 33.2 p -54.22 -18.89 4.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.559 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.724 ' HB2' ' O ' ' A' ' 127' ' ' THR . 17.6 mtpp 87.56 44.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.594 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.487 ' CG2' ' OG1' ' A' ' 127' ' ' THR . 0.3 OUTLIER -148.11 88.23 5.53 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.585 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -70.08 -14.93 35.65 Favored 'Trans proline' 0 C--N 1.305 -1.715 0 C-N-CA 122.736 2.291 . . . . 0.0 112.063 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -63.69 -42.26 98.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.516 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 8.4 mp -59.79 -34.11 72.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.538 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.723 HG23 HG13 ' A' ' 121' ' ' VAL . 22.3 mm -56.86 -50.23 76.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.482 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . 0.753 HH22 ' HB3' ' A' ' 46' ' ' ALA . 92.0 mtt-85 -69.01 -34.91 76.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.529 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 14.6 m -67.11 -32.04 72.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.513 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.425 HG21 ' CG2' ' A' ' 121' ' ' VAL . 45.3 mt -69.61 -58.88 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.573 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 3.8 ptt? -46.46 -25.44 0.67 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.552 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -68.65 -40.49 85.69 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -66.29 -24.46 66.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.872 0.367 . . . . 0.0 110.584 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' THR . . . . . 0.469 ' OG1' ' N ' ' A' ' 141' ' ' LEU . 23.2 p -75.58 -65.82 0.85 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.538 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.469 ' N ' ' OG1' ' A' ' 140' ' ' THR . 52.5 mt -51.75 -33.68 35.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.569 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 43.3 t0 -65.68 -51.04 62.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.591 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . 0.482 ' O ' ' HB2' ' A' ' 147' ' ' ARG . 35.4 t80 -66.79 -38.91 87.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.586 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.562 HD12 ' HB2' ' A' ' 148' ' ' LEU . 1.8 tp -71.13 -35.49 71.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.535 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 58.7 ttp180 -83.01 -10.65 58.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.538 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -112.02 -4.56 14.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.566 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . 1.154 ' O ' ' N ' ' A' ' 149' ' ' LEU . 25.9 mmt180 -142.18 -110.85 0.13 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.599 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . 0.828 ' H ' HD22 ' A' ' 148' ' ' LEU . 1.1 mm? -15.36 -27.77 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.568 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . 1.154 ' N ' ' O ' ' A' ' 147' ' ' ARG . 48.5 tp -49.11 -56.31 9.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.581 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -63.92 -50.6 59.81 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 151' ' ' TRP . . . . . . . . . . . . . 99.5 m95 -66.31 -55.81 14.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.719 0.295 . . . . 0.0 110.555 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 152' ' ' ILE . . . . . 0.694 ' N ' ' O ' ' A' ' 148' ' ' LEU . 10.7 tt -51.32 -34.29 14.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.524 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -67.52 -31.19 71.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.539 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 53.7 t0 -89.17 -4.51 58.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.588 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -97.58 0.86 48.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.597 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 83.64 24.6 49.51 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 89.86 -160.25 28.54 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.866 -0.893 . . . . 0.0 110.866 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 158' ' ' TRP . . . . . 0.48 ' CD1' HD11 ' A' ' 152' ' ' ILE . 33.2 m95 -73.93 -5.71 42.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.842 0.353 . . . . 0.0 110.583 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -60.91 -42.44 98.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.557 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -54.48 -32.16 52.44 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . 0.589 HD23 ' O ' ' A' ' 161' ' ' LEU . 2.2 tt -62.9 -54.06 44.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.785 0.326 . . . . 0.0 110.559 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 47.4 tp -67.15 -30.96 71.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.55 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 21.1 t -66.92 -26.13 66.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.54 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 92.8 t80 -76.87 -42.55 39.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.564 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -71.59 48.2 0.14 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.619 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -131.34 39.44 1.77 Allowed Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 167' ' ' THR . . . . . 1.026 ' OG1' ' HD2' ' A' ' 168' ' ' PRO . 0.6 OUTLIER -108.78 179.15 0.89 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 120.876 0.37 . . . . 0.0 110.539 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 168' ' ' PRO . . . . . 1.026 ' HD2' ' OG1' ' A' ' 167' ' ' THR . 44.4 Cg_endo -71.83 -145.77 0.02 OUTLIER 'Trans proline' 0 C--N 1.304 -1.783 0 C-N-CA 122.837 2.358 . . . . 0.0 112.113 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 169' ' ' THR . . . . . 0.585 ' C ' ' O ' ' A' ' 168' ' ' PRO . 29.9 p -23.72 102.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.558 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 170' ' ' TRP . . . . . 0.686 ' O ' HG22 ' A' ' 173' ' ' VAL . 28.6 p90 -65.21 -18.58 65.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.606 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 171' ' ' GLN . . . . . 0.535 ' NE2' ' OG1' ' A' ' 172' ' ' THR . 5.4 pp0? -46.95 -14.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.542 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 172' ' ' THR . . . . . 0.535 ' OG1' ' NE2' ' A' ' 171' ' ' GLN . 98.3 m -86.92 -29.51 22.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.598 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 173' ' ' VAL . . . . . 0.686 HG22 ' O ' ' A' ' 170' ' ' TRP . 2.1 m -72.14 -45.65 61.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.557 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 174' ' ' THR . . . . . 0.568 ' N ' ' CG2' ' A' ' 173' ' ' VAL . 25.8 m -64.5 -24.89 67.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.596 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 175' ' ' ILE . . . . . 0.555 ' O ' HG22 ' A' ' 175' ' ' ILE . 89.5 mt -85.83 -7.42 10.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.612 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 176' ' ' PHE . . . . . 0.485 ' O ' HG12 ' A' ' 180' ' ' VAL . 63.3 t80 -94.69 -60.06 1.79 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.55 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 3.1 m -62.03 -16.79 16.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.581 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 178' ' ' ALA . . . . . 0.63 ' O ' ' OG1' ' A' ' 182' ' ' THR . . . -95.54 -45.87 6.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.537 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -62.37 -26.18 67.67 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 180' ' ' VAL . . . . . 0.697 HG13 ' N ' ' A' ' 181' ' ' LEU . 13.6 p -86.13 -51.76 12.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.889 0.376 . . . . 0.0 110.607 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . 0.697 ' N ' HG13 ' A' ' 180' ' ' VAL . 45.0 tp -69.31 -48.01 62.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.563 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 182' ' ' THR . . . . . 0.63 ' OG1' ' O ' ' A' ' 178' ' ' ALA . 24.8 m -50.45 -51.46 46.58 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.585 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -47.32 -45.67 24.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.571 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 184' ' ' SER . . . . . . . . . . . . . 27.7 t -54.5 -37.88 65.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.527 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 62.6 mt -77.63 -21.64 51.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.675 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 21.5 m -73.24 -44.87 58.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.597 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 187' ' ' ILE . . . . . 0.639 HG23 ' N ' ' A' ' 188' ' ' TRP . 12.3 tt -73.7 -51.67 23.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.548 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 188' ' ' TRP . . . . . 0.753 ' HE1' ' NE ' ' A' ' 94' ' ' ARG . 6.7 t90 -30.71 -56.86 0.21 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.59 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 7.6 mmtt -175.83 128.25 0.24 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.556 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 190' ' ' LYS . . . . . . . . . . . . . 14.2 ptmt -109.88 89.52 3.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.575 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 191' ' ' MET . . . . . . . . . . . . . 93.7 mtp -128.56 136.62 50.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.618 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.769 0 CA-C-O 117.981 -1.455 . . . . 0.0 110.944 179.996 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 130' ' ' CYS . . . . . . . . . . . . . 26.5 p . . . . . 0 N--CA 1.489 1.518 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 131' ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -64.5 -55.8 18.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.597 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -52.74 167.58 0.14 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.552 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 60.9 tp -57.6 -39.88 77.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.562 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 134' ' ' LYS . . . . . 0.697 ' CD ' ' NE2' ' A' ' 77' ' ' GLN . 50.5 tttm -176.98 -76.79 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.571 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 135' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -143.29 149.98 38.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.637 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 136' ' ' ALA . . . . . 0.542 ' C ' HD12 ' B' ' 137' ' ' LEU . . . -144.83 134.77 23.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.511 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 137' ' ' LEU . . . . . 0.709 ' H ' ' NH2' ' B' ' 141' ' ' ARG . 7.0 mp -97.45 133.74 41.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.618 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 138' ' ' ARG . . . . . 0.494 ' O ' ' HB2' ' B' ' 142' ' ' PHE . 34.1 mmt180 -89.67 -9.86 47.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.496 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 139' ' ' ARG . . . . . . . . . . . . . 75.4 ttt180 -61.8 -44.7 96.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.505 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 140' ' ' HIS . . . . . 0.692 ' O ' ' N ' ' B' ' 143' ' ' LEU . 31.2 t-80 -79.5 -65.14 1.04 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.516 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 141' ' ' ARG . . . . . 0.709 ' NH2' ' H ' ' B' ' 137' ' ' LEU . 1.2 mpp_? -34.81 -31.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.421 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 142' ' ' PHE . . . . . 0.544 ' N ' ' O ' ' B' ' 140' ' ' HIS . 12.1 m-85 -93.07 -29.14 15.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.442 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 143' ' ' LEU . . . . . 0.692 ' N ' ' O ' ' B' ' 140' ' ' HIS . 33.8 tp -58.69 -34.43 71.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.587 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 144' ' ' TRP . . . . . 0.474 ' O ' ' C ' ' B' ' 145' ' ' GLN . 59.7 t-105 -85.65 -55.69 3.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.6 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 145' ' ' GLN . . . . . 0.474 ' C ' ' O ' ' B' ' 144' ' ' TRP . 5.1 tm0? -33.87 -71.39 0.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.618 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 146' ' ' ARG . . . . . . . . . . . . . 67.0 ttt180 -94.02 117.66 30.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.686 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 147' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -155.52 108.51 2.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.562 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 148' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -72.12 -39.26 68.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.567 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 85.4 mtm-85 -109.33 119.27 38.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.552 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 150' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.463 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.511 -179.968 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.52 ' O ' ' C ' ' A' ' 2' ' ' ASP . 8.2 ptt? . . . . . 0 N--CA 1.491 1.591 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.587 ' CG ' ' H ' ' A' ' 3' ' ' GLY . 40.3 p-10 -30.62 -66.56 0.1 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.544 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.587 ' H ' ' CG ' ' A' ' 2' ' ' ASP . . . 78.74 -87.55 1.15 Allowed Glycine 0 CA--C 1.523 0.584 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 56.9 m -84.9 -72.01 0.5 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.815 0.341 . . . . 0.0 110.58 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -167.49 -145.9 4.69 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.876 -0.89 . . . . 0.0 110.876 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.807 ' O ' ' CB ' ' A' ' 7' ' ' GLN . 0.4 OUTLIER -146.35 95.58 2.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.825 0.345 . . . . 0.0 110.702 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.923 ' H ' ' CD ' ' A' ' 8' ' ' PRO . 8.4 tp-100 119.21 34.49 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.597 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.923 ' CD ' ' H ' ' A' ' 7' ' ' GLN . 56.3 Cg_endo -75.71 133.97 16.15 Favored 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 122.874 2.383 . . . . 0.0 112.05 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 32.0 mtp180 -78.36 85.16 4.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.609 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.637 ' O ' ' C ' ' A' ' 11' ' ' GLY . . . 168.94 28.86 0.02 OUTLIER Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.637 ' C ' ' O ' ' A' ' 10' ' ' GLY . . . -14.59 119.71 0.01 OUTLIER Glycine 0 CA--C 1.524 0.65 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.829 ' N ' ' HD3' ' A' ' 13' ' ' PRO . . . 75.02 36.66 45.8 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.829 ' HD3' ' N ' ' A' ' 12' ' ' GLY . 52.6 Cg_exo -50.38 -41.43 51.45 Favored 'Trans proline' 0 C--N 1.304 -1.766 0 C-N-CA 122.859 2.373 . . . . 0.0 112.128 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.506 ' O ' ' OG1' ' A' ' 14' ' ' THR . 0.6 OUTLIER -85.94 46.34 1.31 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.561 -179.94 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 13.9 p -92.54 -166.34 1.52 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.605 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.1 m -85.13 -2.89 58.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.585 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.407 ' OE1' ' HA ' ' A' ' 17' ' ' GLU . 66.7 mm-40 -87.96 -48.19 7.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.591 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 68.4 tp60 -68.17 -22.68 64.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.63 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 69.4 mt -82.5 -56.68 5.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.531 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 27.5 ttt -51.93 -36.97 50.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.5 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.486 ' O ' HD13 ' A' ' 25' ' ' LEU . 27.4 mmtp -66.71 -46.91 74.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.502 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.501 HG22 ' O ' ' A' ' 22' ' ' THR . 88.1 m -72.14 -6.48 42.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.531 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -80.69 -54.01 3.83 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.869 ' O ' ' HB3' ' A' ' 28' ' ' GLN . . . -78.72 -8.72 59.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.791 0.329 . . . . 0.0 110.462 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.547 ' O ' ' C ' ' A' ' 26' ' ' LEU . 2.6 mp -86.99 -81.15 0.23 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.55 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.547 ' C ' ' O ' ' A' ' 25' ' ' LEU . 50.3 tp -26.41 -65.94 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.583 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.552 ' N ' HD12 ' A' ' 27' ' ' LEU . 10.6 mp -51.07 -58.08 7.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.569 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.869 ' HB3' ' O ' ' A' ' 24' ' ' ALA . 0.4 OUTLIER -47.27 -17.82 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.554 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.546 ' O ' ' N ' ' A' ' 31' ' ' ILE . . . -88.9 -72.84 1.28 Allowed Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.849 -0.9 . . . . 0.0 110.849 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -42.13 -18.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.798 0.332 . . . . 0.0 110.578 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.546 ' N ' ' O ' ' A' ' 29' ' ' GLY . 71.8 mt -76.98 -69.29 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.505 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.531 ' O ' ' CD ' ' A' ' 32' ' ' GLN . 5.3 pp0? -78.86 30.12 0.2 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.532 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.412 ' H ' ' C ' ' A' ' 31' ' ' ILE . 67.4 t0 -113.03 -50.94 2.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.58 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.428 ' NH2' ' OD2' ' A' ' 71' ' ' ASP . 16.1 ptm180 -91.42 -26.96 18.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.576 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.463 ' CB ' HD22 ' A' ' 122' ' ' LEU . . . -98.9 -13.19 20.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.516 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -75.13 159.32 51.71 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 27.1 mmt180 -65.49 -96.41 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.856 0.36 . . . . 0.0 110.604 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 88.9 mtp -139.28 135.83 34.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.566 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 79.26 4.82 89.15 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 65.16 72.27 0.75 Allowed Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -73.31 -36.77 66.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.816 0.341 . . . . 0.0 110.542 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.686 ' HB1' ' O ' ' A' ' 45' ' ' LEU . . . 63.9 48.68 0.88 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.571 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.606 ' HD3' ' N ' ' A' ' 42' ' ' ALA . 63.4 Cg_exo -45.98 -74.92 0.04 OUTLIER 'Trans proline' 0 C--N 1.306 -1.663 0 C-N-CA 122.813 2.342 . . . . 0.0 112.067 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.68 ' H ' ' CD ' ' A' ' 44' ' ' GLU . 1.4 pm0 -79.32 -19.5 50.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.461 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.686 ' O ' ' HB1' ' A' ' 42' ' ' ALA . 14.0 tp -87.58 75.74 9.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.535 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -88.59 131.99 34.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.56 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.424 HD12 ' HA ' ' A' ' 47' ' ' LEU . 18.7 tp -168.86 -88.63 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.595 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.614 ' N ' ' HD3' ' A' ' 49' ' ' PRO . 14.0 t70 -169.25 54.08 0.24 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.592 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.614 ' HD3' ' N ' ' A' ' 48' ' ' ASP . 32.2 Cg_exo -54.02 -177.3 0.04 OUTLIER 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 122.75 2.3 . . . . 0.0 112.052 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.622 ' N ' ' HD3' ' A' ' 51' ' ' PRO . 8.5 t 70.13 51.82 0.4 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.684 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.622 ' HD3' ' N ' ' A' ' 50' ' ' VAL . 53.1 Cg_exo -50.63 150.11 12.62 Favored 'Trans proline' 0 C--N 1.306 -1.692 0 C-N-CA 122.685 2.256 . . . . 0.0 112.081 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 29.5 pt20 -99.99 -28.53 13.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.556 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.471 ' OD2' ' OG ' ' A' ' 55' ' ' SER . 67.3 t0 -91.05 132.57 35.93 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.587 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.441 ' N ' ' OD1' ' A' ' 53' ' ' ASP . . . -81.32 -1.18 44.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.585 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.471 ' OG ' ' OD2' ' A' ' 53' ' ' ASP . 77.3 p -61.54 -38.86 88.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.578 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.7 m -83.58 -33.8 25.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.614 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 64.4 mmtt -49.77 -55.17 15.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.558 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 30.5 ttpt -59.32 -48.32 82.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.566 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.626 HD23 ' O ' ' A' ' 59' ' ' LEU . 0.8 OUTLIER -61.44 -26.13 67.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.601 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.4 t -71.63 -35.22 70.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.534 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 76.1 mt-10 -64.13 -31.57 72.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.559 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.441 ' O ' HG22 ' A' ' 66' ' ' ILE . 91.5 m -64.38 -37.79 88.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.591 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.486 HD12 ' N ' ' A' ' 63' ' ' LEU . 8.6 mp -75.33 -24.64 57.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.524 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -84.25 -36.75 22.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.591 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.445 ' O ' ' OE2' ' A' ' 69' ' ' GLU . 99.7 mtt180 -68.45 -44.49 74.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.555 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.441 HG22 ' O ' ' A' ' 62' ' ' CYS . 20.6 tt -76.41 -35.1 26.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.591 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.424 ' O ' ' CB ' ' A' ' 71' ' ' ASP . . . -60.99 -45.44 96.6 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.438 ' O ' ' OD1' ' A' ' 68' ' ' ASP . 68.2 t0 -62.74 -34.29 76.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.747 0.308 . . . . 0.0 110.595 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.534 ' N ' ' OE1' ' A' ' 69' ' ' GLU . 0.3 OUTLIER -79.62 -58.51 3.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.577 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.09 -43.12 73.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.609 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.428 ' OD2' ' NH2' ' A' ' 34' ' ' ARG . 54.0 t0 -65.06 -8.71 17.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.622 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.6 t -96.38 6.99 47.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.559 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -92.94 111.53 23.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.581 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 96.7 mmm -68.36 -11.14 59.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.626 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -80.42 -67.26 0.79 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.542 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 7.3 tp -59.83 -40.26 87.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.585 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 4.3 tm0? -61.8 -37.96 86.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.522 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 76.3 ttt180 -68.45 -44.87 73.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.653 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.488 ' SD ' HG23 ' A' ' 182' ' ' THR . 74.4 mtp -54.51 -43.99 72.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.532 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.644 ' O ' HG12 ' A' ' 83' ' ' VAL . 84.3 mt -62.33 -23.68 32.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.605 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -86.1 -18.68 31.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.576 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -86.43 -15.41 40.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.566 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.887 HG13 ' O ' ' A' ' 83' ' ' VAL . 8.0 p -89.37 82.46 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.566 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.451 ' O ' ' O ' ' A' ' 83' ' ' VAL . 50.1 p30 -39.9 162.76 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.534 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 61.7 p -120.04 118.62 31.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.595 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -147.6 -0.35 0.65 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.528 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.701 ' O ' HG12 ' A' ' 91' ' ' VAL . 31.7 t -176.0 90.11 0.28 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.534 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.485 ' O ' ' CB ' ' A' ' 92' ' ' PHE . 41.0 Cg_endo -70.76 -14.14 32.7 Favored 'Trans proline' 0 C--N 1.304 -1.797 0 C-N-CA 122.792 2.328 . . . . 0.0 112.086 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 33.9 ptt-85 -86.83 -34.46 19.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.484 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -79.55 -57.7 3.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.588 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.701 HG12 ' O ' ' A' ' 87' ' ' SER . 10.1 p -56.87 -51.24 70.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.517 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.66 ' N ' HG13 ' A' ' 91' ' ' VAL . 85.4 t80 -46.42 -51.84 14.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.472 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -68.24 -30.38 69.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.475 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 15.8 tpp180 -71.74 -57.72 4.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.555 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.615 HG23 ' N ' ' A' ' 96' ' ' ALA . 28.5 m -59.47 -47.98 88.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.537 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.615 ' N ' HG23 ' A' ' 95' ' ' VAL . . . -55.22 -27.76 48.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.548 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -81.78 -38.76 25.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.577 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 99' ' ' MET . 99.9 m-20 -63.3 -38.6 91.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.537 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . 0.552 ' HB2' HH21 ' A' ' 109' ' ' ARG . 63.7 mtt -38.48 -68.76 0.14 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.542 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.604 ' CD2' ' O ' ' A' ' 100' ' ' PHE . 17.1 p90 -111.34 57.44 0.63 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.528 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.2 t -74.63 -26.84 60.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.527 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.554 ' O ' ' C ' ' A' ' 103' ' ' GLY . 55.1 p-10 -155.58 -18.39 0.11 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.58 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.554 ' C ' ' O ' ' A' ' 102' ' ' ASP . . . -26.31 -80.71 0.01 OUTLIER Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . 0.607 ' O ' ' CG ' ' A' ' 105' ' ' PHE . 8.5 m-20 174.53 34.34 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.825 0.345 . . . . 0.0 110.598 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.607 ' CG ' ' O ' ' A' ' 104' ' ' ASN . 29.0 p90 42.64 28.97 0.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.57 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.522 ' CG ' ' H ' ' A' ' 107' ' ' TRP . 29.1 p30 -52.09 -110.58 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.548 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' TRP . . . . . 0.548 ' NE1' HG21 ' A' ' 110' ' ' VAL . 6.8 t90 174.8 -26.31 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.583 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.592 ' O ' HG12 ' A' ' 111' ' ' VAL . . . -49.91 -42.2 37.88 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.552 HH21 ' HB2' ' A' ' 99' ' ' MET . 0.0 OUTLIER -48.05 -26.27 1.75 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.851 0.357 . . . . 0.0 110.581 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.548 HG21 ' NE1' ' A' ' 107' ' ' TRP . 33.0 t -52.43 -57.88 3.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.563 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.592 HG12 ' O ' ' A' ' 108' ' ' GLY . 4.7 p -45.31 -46.63 3.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.545 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.574 ' N ' HG13 ' A' ' 111' ' ' VAL . . . -58.21 -35.21 71.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.516 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.668 ' O ' HD23 ' A' ' 113' ' ' LEU . 2.1 tt -56.69 -46.89 80.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.503 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.446 ' CZ ' ' CG1' ' A' ' 110' ' ' VAL . 10.0 m-85 -57.05 -44.17 82.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.471 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 92.7 t80 -68.0 -43.78 78.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.511 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.453 ' CE2' HG21 ' A' ' 95' ' ' VAL . 92.9 t80 -58.89 -41.93 88.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.57 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -70.83 -32.62 69.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.53 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 4.9 t -48.53 -44.6 36.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.593 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.817 ' O ' ' CB ' ' A' ' 123' ' ' LYS . 55.4 mmtt -59.44 -43.69 93.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.578 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 53.7 mt -68.05 -31.68 71.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.544 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.423 ' CG2' HG21 ' A' ' 136' ' ' ILE . 78.6 t -76.83 -53.31 15.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.608 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.463 HD22 ' CB ' ' A' ' 35' ' ' ALA . 71.8 mt -73.03 -41.05 64.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.621 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.817 ' CB ' ' O ' ' A' ' 119' ' ' LYS . 38.6 ttmt -58.09 -41.16 82.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.616 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.519 ' O ' ' OG1' ' A' ' 127' ' ' THR . . . -75.48 -22.14 57.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.56 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.464 HD13 ' HG3' ' A' ' 44' ' ' GLU . 33.8 tp -63.03 -32.06 73.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.513 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . 0.474 ' SG ' ' N ' ' A' ' 127' ' ' THR . 0.1 OUTLIER -83.3 -35.79 24.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.494 -179.914 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.742 ' O ' ' HB2' ' A' ' 128' ' ' LYS . 36.0 p -53.45 -18.57 2.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.579 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.742 ' HB2' ' O ' ' A' ' 127' ' ' THR . 53.6 mttp 87.72 43.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.575 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.515 ' CG2' ' OG1' ' A' ' 127' ' ' THR . 0.2 OUTLIER -147.07 91.47 5.14 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.67 -179.944 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . 0.973 ' O ' HG12 ' A' ' 133' ' ' ILE . 53.1 Cg_endo -73.6 -12.93 24.81 Favored 'Trans proline' 0 C--N 1.306 -1.702 0 C-N-CA 122.836 2.357 . . . . 0.0 112.039 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 46.5 tt0 -65.94 -40.1 91.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.52 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 8.5 mp -62.1 -33.95 75.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.517 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.973 HG12 ' O ' ' A' ' 130' ' ' PRO . 2.3 pt -56.83 -50.25 75.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.482 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . 0.641 ' N ' ' CG1' ' A' ' 133' ' ' ILE . 42.9 ttm180 -68.86 -34.72 75.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.528 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 8.2 m -67.45 -31.68 72.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.553 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.423 HG21 ' CG2' ' A' ' 121' ' ' VAL . 46.9 mt -70.06 -58.61 5.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.494 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 95.0 mtp -46.65 -25.54 0.74 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.482 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -68.74 -40.36 85.38 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' TRP . . . . . 0.507 ' CD1' ' N ' ' A' ' 139' ' ' TRP . 13.4 m0 -66.32 -24.49 66.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.851 0.357 . . . . 0.0 110.539 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' THR . . . . . 0.478 ' OG1' ' N ' ' A' ' 141' ' ' LEU . 20.3 p -75.51 -65.83 0.85 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.563 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.478 ' N ' ' OG1' ' A' ' 140' ' ' THR . 55.2 mt -51.82 -33.59 36.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.531 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -65.8 -50.97 62.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.599 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . 0.431 ' O ' ' HB2' ' A' ' 147' ' ' ARG . 5.4 t80 -66.84 -38.96 87.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.502 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.581 HD12 ' HB2' ' A' ' 148' ' ' LEU . 1.8 tp -71.04 -35.5 71.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.561 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 59.1 ttp180 -83.01 -10.65 58.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.537 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -112.09 -4.63 14.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.484 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . 1.146 ' O ' ' N ' ' A' ' 149' ' ' LEU . 11.5 mtp180 -142.17 -110.83 0.13 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.584 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . 0.816 ' H ' HD22 ' A' ' 148' ' ' LEU . 1.0 OUTLIER -15.48 -27.73 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.563 -179.951 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . 1.146 ' N ' ' O ' ' A' ' 147' ' ' ARG . 57.3 tp -49.01 -56.31 9.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.683 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -63.91 -50.55 60.23 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 151' ' ' TRP . . . . . . . . . . . . . 99.5 m95 -66.3 -55.79 14.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.87 0.367 . . . . 0.0 110.632 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 152' ' ' ILE . . . . . 0.701 ' N ' ' O ' ' A' ' 148' ' ' LEU . 10.5 tt -51.34 -34.34 14.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.597 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . 0.54 ' OE1' HD11 ' A' ' 149' ' ' LEU . 11.1 mt-30 -67.41 -31.37 71.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.554 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 53.6 t0 -88.92 -4.61 58.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.558 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -97.49 0.8 48.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.582 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 83.69 24.69 49.02 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 89.74 -160.43 28.84 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 158' ' ' TRP . . . . . 0.451 ' CD1' HD11 ' A' ' 152' ' ' ILE . 37.0 m95 -73.79 -5.85 43.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.801 0.334 . . . . 0.0 110.554 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -60.8 -42.42 97.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.539 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -54.45 -32.34 52.44 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . 0.583 HD23 ' O ' ' A' ' 161' ' ' LEU . 2.0 tt -62.72 -54.2 42.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.854 0.359 . . . . 0.0 110.6 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 47.6 tp -66.77 -31.34 71.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.588 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 6.1 t -66.55 -26.68 67.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.531 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 94.1 t80 -76.03 -42.85 46.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.584 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -71.75 47.91 0.15 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.597 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -130.68 39.16 1.83 Allowed Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 167' ' ' THR . . . . . 1.138 ' OG1' ' HD2' ' A' ' 168' ' ' PRO . 0.6 OUTLIER -108.64 -177.24 0.46 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 120.909 0.385 . . . . 0.0 110.564 -179.949 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 168' ' ' PRO . . . . . 1.138 ' HD2' ' OG1' ' A' ' 167' ' ' THR . 58.6 Cg_endo -76.51 -147.38 0.03 OUTLIER 'Trans proline' 0 C--N 1.305 -1.728 0 C-N-CA 122.81 2.34 . . . . 0.0 112.132 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 169' ' ' THR . . . . . 0.602 ' C ' ' O ' ' A' ' 168' ' ' PRO . 80.3 p -21.08 99.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.581 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 170' ' ' TRP . . . . . 0.686 ' O ' HG22 ' A' ' 173' ' ' VAL . 32.4 p90 -63.64 -18.66 64.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.571 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 171' ' ' GLN . . . . . . . . . . . . . 2.6 pp0? -47.02 -13.88 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.589 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 172' ' ' THR . . . . . 0.524 ' O ' HG22 ' A' ' 175' ' ' ILE . 4.7 m -87.47 -29.53 21.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.526 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 173' ' ' VAL . . . . . 0.686 HG22 ' O ' ' A' ' 170' ' ' TRP . 2.0 m -72.05 -45.59 62.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.619 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 174' ' ' THR . . . . . 0.558 ' N ' ' CG2' ' A' ' 173' ' ' VAL . 25.1 m -64.61 -24.88 67.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.589 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 175' ' ' ILE . . . . . 0.524 HG22 ' O ' ' A' ' 172' ' ' THR . 1.7 tt -85.8 -7.49 10.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.535 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 176' ' ' PHE . . . . . 0.478 ' O ' HG12 ' A' ' 180' ' ' VAL . 64.4 t80 -94.64 -60.16 1.77 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.544 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 3.2 m -62.09 -16.76 16.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.5 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 178' ' ' ALA . . . . . 0.626 ' O ' ' OG1' ' A' ' 182' ' ' THR . . . -95.47 -45.9 6.9 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.605 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -62.33 -26.24 67.69 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 180' ' ' VAL . . . . . 0.696 HG13 ' N ' ' A' ' 181' ' ' LEU . 13.6 p -86.17 -51.67 12.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.761 0.315 . . . . 0.0 110.573 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . 0.696 ' N ' HG13 ' A' ' 180' ' ' VAL . 40.6 tp -69.3 -48.01 62.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.585 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 182' ' ' THR . . . . . 0.626 ' OG1' ' O ' ' A' ' 178' ' ' ALA . 25.3 m -50.5 -51.4 47.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.515 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -47.33 -45.76 24.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.548 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 184' ' ' SER . . . . . . . . . . . . . 28.3 t -54.46 -37.89 65.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.506 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 60.4 mt -77.64 -21.76 51.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.542 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 21.8 m -73.22 -44.86 58.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.563 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 187' ' ' ILE . . . . . 0.638 HG23 ' N ' ' A' ' 188' ' ' TRP . 12.7 tt -73.67 -51.63 24.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.546 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 188' ' ' TRP . . . . . 0.638 ' N ' HG23 ' A' ' 187' ' ' ILE . 0.2 OUTLIER -30.75 -56.87 0.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.608 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 7.8 mmtt -175.81 128.24 0.24 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.57 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 190' ' ' LYS . . . . . . . . . . . . . 35.2 pttt -109.83 89.56 3.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.551 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 191' ' ' MET . . . . . . . . . . . . . 84.6 mtp -128.64 136.59 50.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.557 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.739 0 CA-C-O 118.013 -1.437 . . . . 0.0 110.918 -179.982 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 130' ' ' CYS . . . . . 0.496 ' O ' ' SG ' ' B' ' 130' ' ' CYS . 46.1 t . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 131' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -72.03 -42.78 65.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.573 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -152.59 87.22 1.29 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.57 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 133' ' ' LEU . . . . . 0.492 HD22 ' N ' ' B' ' 133' ' ' LEU . 4.4 mm? 56.3 53.57 8.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.592 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 134' ' ' LYS . . . . . 0.464 ' HB3' ' O ' ' B' ' 133' ' ' LEU . 64.1 tttm 66.62 -83.73 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.578 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 135' ' ' LYS . . . . . 0.408 ' CG ' ' O ' ' B' ' 134' ' ' LYS . 51.8 mtmt -158.12 134.59 9.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.612 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 136' ' ' ALA . . . . . . . . . . . . . . . -72.73 143.78 47.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.549 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 40.4 mt -83.79 80.69 9.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.592 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 138' ' ' ARG . . . . . . . . . . . . . 83.6 mtt85 -64.2 -34.16 77.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.509 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 139' ' ' ARG . . . . . . . . . . . . . 83.5 mtp180 -61.61 -45.15 95.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.577 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 140' ' ' HIS . . . . . 0.713 ' O ' ' N ' ' B' ' 143' ' ' LEU . 61.1 m80 -78.78 -66.55 0.85 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.541 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 141' ' ' ARG . . . . . 0.496 ' C ' ' O ' ' B' ' 140' ' ' HIS . 71.9 ttp85 -31.62 -33.76 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.521 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 142' ' ' PHE . . . . . 0.58 ' N ' ' O ' ' B' ' 140' ' ' HIS . 13.1 t80 -90.3 -33.22 16.19 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.432 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 143' ' ' LEU . . . . . 0.713 ' N ' ' O ' ' B' ' 140' ' ' HIS . 33.6 tp -54.42 -36.47 64.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.488 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 144' ' ' TRP . . . . . 0.487 ' O ' ' C ' ' B' ' 145' ' ' GLN . 66.4 t-105 -84.82 -56.73 3.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.471 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 145' ' ' GLN . . . . . 0.487 ' C ' ' O ' ' B' ' 144' ' ' TRP . 13.3 tm0? -32.81 -65.81 0.15 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.503 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 146' ' ' ARG . . . . . 0.467 ' HG2' ' H ' ' B' ' 148' ' ' GLN . 62.5 ttm-85 -56.42 141.53 41.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.536 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 147' ' ' ARG . . . . . . . . . . . . . 85.8 mtm-85 -54.58 -42.16 70.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.518 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 148' ' ' GLN . . . . . 0.476 ' C ' ' N ' ' B' ' 150' ' ' ALA . 43.4 mm-40 49.88 37.65 14.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.524 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 21.2 mmt85 47.96 13.85 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.577 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 150' ' ' ALA . . . . . 0.476 ' N ' ' C ' ' B' ' 148' ' ' GLN . . . . . . . . 0 C--O 1.221 -0.424 0 CA-C-O 117.959 -1.02 . . . . 0.0 110.53 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.5 ptt? . . . . . 0 N--CA 1.489 1.518 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 1.007 ' OD1' ' N ' ' A' ' 3' ' ' GLY . 50.6 p-10 -61.97 -58.33 8.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.542 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 1.007 ' N ' ' OD1' ' A' ' 2' ' ' ASP . . . 79.77 -49.83 3.75 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 70.2 m -122.05 -40.52 2.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.745 0.307 . . . . 0.0 110.627 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 158.7 171.49 24.6 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.999 ' O ' ' HB3' ' A' ' 7' ' ' GLN . 0.7 OUTLIER -117.03 98.66 6.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.821 0.343 . . . . 0.0 110.56 -179.944 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.999 ' HB3' ' O ' ' A' ' 6' ' ' GLU . 3.4 tp-100 100.38 69.95 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.532 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 1.144 ' O ' ' O ' ' A' ' 9' ' ' ARG . 51.1 Cg_exo -47.86 142.84 14.17 Favored 'Trans proline' 0 C--N 1.303 -1.853 0 C-N-CA 122.848 2.366 . . . . 0.0 112.125 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 1.144 ' O ' ' O ' ' A' ' 8' ' ' PRO . 24.5 mtp180 0.97 147.88 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.425 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -144.24 -31.79 0.09 OUTLIER Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -49.4 103.08 0.07 OUTLIER Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.506 ' H ' ' HD3' ' A' ' 13' ' ' PRO . . . 109.05 69.64 0.65 Allowed Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 1.334 ' O ' ' N ' ' A' ' 15' ' ' SER . 48.8 Cg_exo -51.46 -81.92 0.01 OUTLIER 'Trans proline' 0 C--N 1.304 -1.768 0 C-N-CA 122.723 2.282 . . . . 0.0 112.068 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.609 ' C ' ' O ' ' A' ' 13' ' ' PRO . 32.7 p -19.29 47.16 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.623 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 1.334 ' N ' ' O ' ' A' ' 13' ' ' PRO . 1.5 p -118.94 -149.63 0.44 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.522 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.518 ' H ' ' HB2' ' A' ' 15' ' ' SER . 21.2 m -102.11 -13.46 17.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.656 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -80.6 -49.46 11.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.655 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.515 ' HG3' ' HB3' ' A' ' 13' ' ' PRO . 98.8 mm-40 -66.48 -22.78 66.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.653 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.936 HD12 ' O ' ' A' ' 15' ' ' SER . 27.4 mt -82.06 -54.92 8.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.564 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 88.9 mtp -53.6 -36.22 61.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.542 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 23.0 mmtp -67.6 -46.02 73.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.529 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.465 HG22 ' O ' ' A' ' 22' ' ' THR . 52.3 m -72.51 -7.65 51.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.506 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -79.8 -53.82 4.14 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.904 -0.879 . . . . 0.0 110.904 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.537 ' HB1' ' NE2' ' A' ' 28' ' ' GLN . . . -78.38 -9.36 59.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.793 0.33 . . . . 0.0 110.477 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.551 ' O ' ' C ' ' A' ' 26' ' ' LEU . 34.7 tp -86.59 -81.04 0.23 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.521 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.551 ' C ' ' O ' ' A' ' 25' ' ' LEU . 45.0 tp -26.73 -65.83 0.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.513 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.531 ' O ' HG12 ' A' ' 31' ' ' ILE . 51.5 mt -51.1 -58.07 7.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.53 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.576 ' NE2' HD23 ' A' ' 47' ' ' LEU . 40.2 mt-30 -47.36 -17.96 0.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.537 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.542 ' O ' ' N ' ' A' ' 31' ' ' ILE . . . -88.68 -72.76 1.28 Allowed Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 38.8 t80 -42.27 -18.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.812 0.339 . . . . 0.0 110.576 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.542 ' N ' ' O ' ' A' ' 29' ' ' GLY . 30.3 mm -77.13 -69.21 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.582 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.602 ' HG2' ' O ' ' A' ' 32' ' ' GLN . 50.2 tt0 -78.83 30.07 0.2 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.59 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.413 ' H ' ' C ' ' A' ' 31' ' ' ILE . 49.9 t0 -113.1 -50.75 2.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.574 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 15.4 ptm180 -91.6 -27.12 18.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.553 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.473 ' CB ' HD22 ' A' ' 122' ' ' LEU . . . -98.53 -14.38 20.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.595 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -81.72 178.19 53.78 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 38.3 ptt180 -144.95 -179.02 6.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.81 0.338 . . . . 0.0 110.583 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 4.8 tpp -75.04 122.23 23.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.58 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.444 ' O ' ' N ' ' A' ' 41' ' ' GLU . . . 98.74 -36.45 4.01 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 67.99 -58.88 0.38 Allowed Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 39' ' ' GLY . 97.0 mt-10 56.9 83.13 0.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.801 0.334 . . . . 0.0 110.669 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.574 ' N ' ' HD3' ' A' ' 43' ' ' PRO . . . 59.72 53.97 4.18 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.607 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.574 ' HD3' ' N ' ' A' ' 42' ' ' ALA . 51.8 Cg_exo -49.72 159.72 1.42 Allowed 'Trans proline' 0 C--N 1.306 -1.708 0 C-N-CA 122.77 2.313 . . . . 0.0 112.091 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 51.5 mp0 -94.19 -9.13 37.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.506 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.48 HD21 ' O ' ' A' ' 28' ' ' GLN . 23.3 tp -105.36 67.71 0.78 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.518 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.805 ' O ' ' CB ' ' A' ' 47' ' ' LEU . . . -77.08 138.23 39.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.535 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 1.044 ' O ' ' HD3' ' A' ' 49' ' ' PRO . 64.9 tp 136.62 -54.5 0.01 OUTLIER 'General case' 0 CA--C 1.587 2.401 1 CA-C-O 106.478 -6.487 . . . . 0.0 101.611 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -41.25 88.37 0.04 OUTLIER Pre-proline 0 C--N 1.259 -3.333 1 O-C-N 131.408 5.442 . . . . 0.0 110.575 -168.733 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 1.044 ' HD3' ' O ' ' A' ' 47' ' ' LEU . 50.2 Cg_exo -48.61 147.51 9.42 Favored 'Trans proline' 0 C--N 1.305 -1.713 0 C-N-CA 122.788 2.325 . . . . 0.0 112.166 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.811 ' HB ' ' HD2' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -36.84 176.33 0.0 OUTLIER Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.525 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.811 ' HD2' ' HB ' ' A' ' 50' ' ' VAL . 50.0 Cg_endo -72.7 121.06 7.07 Favored 'Trans proline' 0 C--N 1.304 -1.769 0 C-N-CA 122.828 2.352 . . . . 0.0 112.142 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.474 ' O ' ' O ' ' A' ' 53' ' ' ASP . 51.5 tp60 -147.66 142.3 26.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.59 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.474 ' O ' ' O ' ' A' ' 52' ' ' GLN . 54.1 t0 58.05 127.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.568 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -88.54 -1.68 58.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.61 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 12.0 t -59.15 -39.37 82.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.539 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 10.5 m -82.04 -33.61 29.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.563 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -50.31 -54.74 19.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.661 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -59.83 -48.11 83.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.536 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.63 HD23 ' O ' ' A' ' 59' ' ' LEU . 0.8 OUTLIER -61.65 -26.2 67.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.536 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.5 t -71.54 -35.23 70.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.544 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -64.01 -31.71 73.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.551 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 94.4 m -64.23 -37.8 88.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.605 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.429 ' N ' HD12 ' A' ' 63' ' ' LEU . 10.8 mp -75.36 -24.67 57.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.53 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -84.29 -36.72 22.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.557 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.435 ' O ' ' OE2' ' A' ' 69' ' ' GLU . 99.6 mtt180 -68.46 -44.47 74.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.575 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 19.4 tt -76.48 -35.02 25.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.574 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.425 ' O ' ' CB ' ' A' ' 71' ' ' ASP . . . -61.04 -45.38 96.7 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.437 ' O ' ' OD1' ' A' ' 68' ' ' ASP . 68.5 t0 -62.75 -34.37 77.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.852 0.358 . . . . 0.0 110.569 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.547 ' N ' ' OE1' ' A' ' 69' ' ' GLU . 0.3 OUTLIER -79.55 -58.49 3.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.609 179.949 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 2.1 mt -55.22 -43.07 74.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.538 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.425 ' CB ' ' O ' ' A' ' 67' ' ' GLY . 51.4 t0 -65.01 -8.76 17.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.623 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.6 t -96.4 7.08 47.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.61 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -92.99 111.55 23.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.531 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 77.8 mtm -68.41 -11.12 59.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.56 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 -80.43 -67.36 0.78 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.552 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 52.5 tp -59.66 -40.42 87.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.618 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.851 HE22 ' HZ2' ' A' ' 119' ' ' LYS . 67.6 tp60 -61.72 -37.95 86.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.536 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 77.8 ttt180 -68.49 -44.96 73.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.552 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.442 ' SD ' HG23 ' A' ' 182' ' ' THR . 66.0 mtp -54.51 -43.83 72.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.629 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.641 ' O ' HG12 ' A' ' 83' ' ' VAL . 87.9 mt -62.47 -23.64 32.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.59 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -85.98 -18.78 31.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.595 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -86.43 -15.34 40.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.57 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.878 HG13 ' O ' ' A' ' 83' ' ' VAL . 8.2 p -89.47 82.61 2.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.585 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.429 ' O ' ' O ' ' A' ' 83' ' ' VAL . 55.3 p-10 -40.3 162.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.567 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 64.3 p -119.61 119.42 33.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.616 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 -148.4 -0.18 0.57 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.489 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.686 ' O ' HG12 ' A' ' 91' ' ' VAL . 44.0 t -176.04 88.7 0.28 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.504 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.487 ' O ' ' CB ' ' A' ' 92' ' ' PHE . 37.4 Cg_endo -69.37 -14.56 37.54 Favored 'Trans proline' 0 C--N 1.306 -1.692 0 C-N-CA 122.829 2.352 . . . . 0.0 112.068 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 34.2 ptt-85 -86.42 -35.06 19.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.55 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -78.92 -57.9 3.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.528 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.686 HG12 ' O ' ' A' ' 87' ' ' SER . 10.3 p -56.71 -51.63 64.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.532 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.665 ' N ' HG13 ' A' ' 91' ' ' VAL . 71.8 t80 -46.02 -52.12 12.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.473 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 91.3 t80 -68.29 -29.95 68.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.432 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 15.3 tpp180 -71.98 -57.18 4.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.495 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.613 HG23 ' N ' ' A' ' 96' ' ' ALA . 28.1 m -60.16 -47.8 90.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.45 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.613 ' N ' HG23 ' A' ' 95' ' ' VAL . . . -55.34 -27.71 48.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.469 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -81.71 -38.86 25.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.522 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.407 ' O ' ' C ' ' A' ' 99' ' ' MET . 99.4 m-20 -63.25 -38.58 91.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.612 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . 0.543 ' HB2' HH21 ' A' ' 109' ' ' ARG . 64.8 mtt -38.44 -68.72 0.15 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.559 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.6 ' CD2' ' O ' ' A' ' 100' ' ' PHE . 17.2 p90 -111.39 57.42 0.63 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.544 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.2 t -74.59 -26.84 60.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.579 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.531 ' O ' ' C ' ' A' ' 103' ' ' GLY . 55.6 p-10 -155.64 -18.29 0.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.542 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.531 ' C ' ' O ' ' A' ' 102' ' ' ASP . . . -26.45 -80.61 0.01 OUTLIER Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.916 -0.873 . . . . 0.0 110.916 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . 0.606 ' O ' ' CG ' ' A' ' 105' ' ' PHE . 8.3 m-20 174.47 34.35 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.764 0.316 . . . . 0.0 110.587 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.606 ' CG ' ' O ' ' A' ' 104' ' ' ASN . 29.5 p90 42.58 29.12 0.14 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.597 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.52 ' CG ' ' H ' ' A' ' 107' ' ' TRP . 28.5 p30 -52.1 -110.54 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.499 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' TRP . . . . . 0.541 ' HE1' HD12 ' A' ' 148' ' ' LEU . 6.5 t90 174.66 -26.13 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.587 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.588 ' O ' HG12 ' A' ' 111' ' ' VAL . . . -50.12 -42.12 39.59 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.934 -0.867 . . . . 0.0 110.934 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.543 HH21 ' HB2' ' A' ' 99' ' ' MET . 0.0 OUTLIER -48.14 -26.1 1.74 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.775 0.322 . . . . 0.0 110.522 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.539 HG21 ' NE1' ' A' ' 107' ' ' TRP . 36.2 t -52.52 -57.86 3.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.582 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.588 HG12 ' O ' ' A' ' 108' ' ' GLY . 4.7 p -45.35 -46.71 3.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.503 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.579 ' N ' HG13 ' A' ' 111' ' ' VAL . . . -58.08 -35.25 71.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.471 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.674 ' O ' HD23 ' A' ' 113' ' ' LEU . 2.1 tt -56.73 -46.83 81.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.581 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.412 ' CZ ' ' CG1' ' A' ' 110' ' ' VAL . 10.8 m-85 -57.12 -44.09 82.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.607 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 93.1 t80 -67.98 -43.71 78.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.564 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.443 ' CE2' HG21 ' A' ' 95' ' ' VAL . 92.2 t80 -58.94 -42.01 88.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.536 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.474 ' O ' HG23 ' A' ' 121' ' ' VAL . . . -70.74 -32.72 69.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.581 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 4.7 t -48.42 -44.53 35.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.625 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.851 ' HZ2' HE22 ' A' ' 77' ' ' GLN . 58.2 mmtt -59.6 -43.67 93.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.569 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 52.9 mt -67.94 -31.63 71.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.526 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.743 HG13 HG23 ' A' ' 133' ' ' ILE . 60.9 t -76.92 -53.49 14.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.554 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.473 HD22 ' CB ' ' A' ' 35' ' ' ALA . 70.9 mt -72.91 -40.95 65.06 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.552 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.822 ' CB ' ' O ' ' A' ' 119' ' ' LYS . 88.7 tttt -58.03 -41.23 82.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.526 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.526 ' O ' ' OG1' ' A' ' 127' ' ' THR . . . -75.55 -22.18 57.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.578 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 50.5 tp -62.82 -32.29 73.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.629 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . 0.446 ' SG ' ' N ' ' A' ' 127' ' ' THR . 16.8 p -82.97 -36.0 25.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.582 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.748 ' O ' ' HB2' ' A' ' 128' ' ' LYS . 35.4 p -53.3 -19.12 2.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.557 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.748 ' HB2' ' O ' ' A' ' 127' ' ' THR . 62.1 mttm 87.84 44.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.487 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.492 ' CG2' ' OG1' ' A' ' 127' ' ' THR . 0.4 OUTLIER -147.73 89.92 5.26 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.609 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . 0.401 ' HA ' HG12 ' A' ' 133' ' ' ILE . 43.3 Cg_endo -71.58 -14.95 30.67 Favored 'Trans proline' 0 C--N 1.304 -1.775 0 C-N-CA 122.82 2.347 . . . . 0.0 112.067 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -64.6 -39.97 94.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.499 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 2.3 tp -62.24 -32.62 73.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.53 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.743 HG23 HG13 ' A' ' 121' ' ' VAL . 21.8 mm -58.72 -49.39 82.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.523 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 43.2 ttm180 -69.47 -34.67 74.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.439 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 24.2 m -67.28 -31.67 72.14 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.558 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.421 HG21 ' CG2' ' A' ' 121' ' ' VAL . 46.3 mt -70.03 -58.72 4.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.495 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 6.1 mtp -46.57 -25.4 0.69 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.526 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -68.76 -40.44 85.23 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.835 -0.906 . . . . 0.0 110.835 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -66.36 -24.47 66.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.801 0.334 . . . . 0.0 110.568 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' THR . . . . . 0.503 ' OG1' ' N ' ' A' ' 141' ' ' LEU . 15.4 p -75.46 -65.96 0.83 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.535 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.503 ' N ' ' OG1' ' A' ' 140' ' ' THR . 54.9 mt -51.71 -33.62 35.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.562 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -65.69 -51.08 62.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.6 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . 0.443 ' O ' ' HB2' ' A' ' 147' ' ' ARG . 5.9 t80 -66.81 -38.89 87.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.57 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.505 ' HA ' HD23 ' A' ' 148' ' ' LEU . 0.4 OUTLIER -71.04 -35.48 71.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.557 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 57.7 ttp180 -83.05 -10.72 58.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.54 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -112.04 -4.5 14.46 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.533 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . 1.152 ' O ' ' N ' ' A' ' 149' ' ' LEU . 10.6 mtp180 -142.25 -110.93 0.13 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.533 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . 0.844 ' H ' HD22 ' A' ' 148' ' ' LEU . 1.0 OUTLIER -15.42 -27.74 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.524 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . 1.152 ' N ' ' O ' ' A' ' 147' ' ' ARG . 56.2 tp -49.11 -56.28 9.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.565 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -63.97 -50.64 59.44 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 151' ' ' TRP . . . . . . . . . . . . . 30.6 m95 -66.16 -55.78 14.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.879 0.371 . . . . 0.0 110.689 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 152' ' ' ILE . . . . . 0.699 ' N ' ' O ' ' A' ' 148' ' ' LEU . 9.4 tt -51.34 -34.37 14.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.579 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . 0.666 ' NE2' HD11 ' A' ' 149' ' ' LEU . 52.4 mt-30 -67.44 -31.29 71.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.619 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -88.96 -4.59 58.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.623 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -97.5 0.74 48.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.541 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 83.72 24.59 49.25 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 89.85 -160.31 28.61 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 158' ' ' TRP . . . . . 0.465 ' HE1' HG23 ' A' ' 19' ' ' ILE . 55.7 m95 -74.02 -5.56 42.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.761 0.315 . . . . 0.0 110.548 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -60.85 -42.52 97.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.554 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -54.35 -32.19 51.55 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.951 -0.859 . . . . 0.0 110.951 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . 0.58 HD23 ' O ' ' A' ' 161' ' ' LEU . 1.9 tt -62.98 -54.17 42.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.814 0.34 . . . . 0.0 110.496 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 55.2 tp -66.84 -31.24 71.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.539 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 5.1 t -66.6 -26.6 67.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.554 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 93.1 t80 -76.17 -42.86 45.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.564 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -71.61 47.91 0.14 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.569 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -130.8 38.94 1.86 Allowed Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 167' ' ' THR . . . . . 1.088 ' OG1' ' HD2' ' A' ' 168' ' ' PRO . 0.6 OUTLIER -108.5 -179.0 0.62 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 120.913 0.387 . . . . 0.0 110.544 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 168' ' ' PRO . . . . . 1.088 ' HD2' ' OG1' ' A' ' 167' ' ' THR . 56.3 Cg_endo -74.61 -146.75 0.03 OUTLIER 'Trans proline' 0 C--N 1.305 -1.761 0 C-N-CA 122.86 2.374 . . . . 0.0 112.136 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 169' ' ' THR . . . . . 0.599 ' C ' ' O ' ' A' ' 168' ' ' PRO . 9.4 p -21.6 100.41 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.627 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 170' ' ' TRP . . . . . 0.688 ' O ' HG22 ' A' ' 173' ' ' VAL . 28.0 p90 -64.43 -18.59 64.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.534 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 171' ' ' GLN . . . . . 0.481 ' NE2' ' OG1' ' A' ' 172' ' ' THR . 5.1 pp0? -47.29 -13.96 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.557 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 172' ' ' THR . . . . . 0.528 ' O ' HG22 ' A' ' 175' ' ' ILE . 5.2 m -87.13 -29.47 21.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.52 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 173' ' ' VAL . . . . . 0.688 HG22 ' O ' ' A' ' 170' ' ' TRP . 2.1 m -72.09 -45.64 62.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.504 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 174' ' ' THR . . . . . 0.562 ' N ' ' CG2' ' A' ' 173' ' ' VAL . 25.2 m -64.56 -24.95 67.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.521 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 175' ' ' ILE . . . . . 0.528 HG22 ' O ' ' A' ' 172' ' ' THR . 1.8 tt -85.76 -7.53 10.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.57 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 176' ' ' PHE . . . . . 0.482 ' O ' HG12 ' A' ' 180' ' ' VAL . 63.6 t80 -94.56 -60.13 1.78 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.567 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 3.2 m -62.1 -16.72 16.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.573 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 178' ' ' ALA . . . . . 0.61 ' O ' ' OG1' ' A' ' 182' ' ' THR . . . -95.48 -45.98 6.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.527 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -62.29 -26.2 67.56 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 180' ' ' VAL . . . . . 0.697 HG13 ' N ' ' A' ' 181' ' ' LEU . 13.6 p -86.13 -51.8 12.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.885 0.374 . . . . 0.0 110.591 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . 0.697 ' N ' HG13 ' A' ' 180' ' ' VAL . 38.6 tp -69.32 -47.93 63.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.545 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 182' ' ' THR . . . . . 0.61 ' OG1' ' O ' ' A' ' 178' ' ' ALA . 27.7 m -50.55 -51.35 48.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.514 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -47.43 -45.69 25.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.533 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 184' ' ' SER . . . . . . . . . . . . . 28.7 t -54.47 -37.83 65.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.603 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 65.8 mt -77.62 -21.78 51.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.524 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 21.5 m -73.28 -44.77 58.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.597 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 187' ' ' ILE . . . . . 0.641 HG23 ' N ' ' A' ' 188' ' ' TRP . 12.7 tt -73.78 -51.56 24.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.573 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 188' ' ' TRP . . . . . 0.641 ' N ' HG23 ' A' ' 187' ' ' ILE . 0.1 OUTLIER -30.82 -56.89 0.22 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.575 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 8.0 mmtt -175.74 128.26 0.24 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.542 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 190' ' ' LYS . . . . . . . . . . . . . 14.4 ptmt -109.87 89.58 3.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.611 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 191' ' ' MET . . . . . . . . . . . . . 84.4 mtp -128.67 136.51 50.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.614 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.775 0 CA-C-O 118.044 -1.42 . . . . 0.0 110.895 -179.975 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 130' ' ' CYS . . . . . . . . . . . . . 5.8 t . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 131' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -70.51 -49.53 47.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.568 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -52.61 105.7 0.13 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.58 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 133' ' ' LEU . . . . . 0.415 HD12 ' HA ' ' B' ' 133' ' ' LEU . 37.8 tp -173.53 -79.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.522 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 134' ' ' LYS . . . . . . . . . . . . . 20.9 pttp -78.66 138.92 38.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.543 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 135' ' ' LYS . . . . . . . . . . . . . 61.7 pttt -92.23 -8.1 46.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.545 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 136' ' ' ALA . . . . . . . . . . . . . . . -61.83 92.15 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.577 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 69.4 mt -127.6 -144.37 0.29 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.525 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 138' ' ' ARG . . . . . . . . . . . . . 89.0 mtm180 -61.69 -39.33 91.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.487 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 139' ' ' ARG . . . . . . . . . . . . . 17.3 tpt180 -56.01 -46.62 78.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.474 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 140' ' ' HIS . . . . . 0.762 ' O ' ' N ' ' B' ' 143' ' ' LEU . 20.7 m80 -78.13 -67.53 0.72 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.557 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 141' ' ' ARG . . . . . 0.505 ' C ' ' O ' ' B' ' 140' ' ' HIS . 83.0 mtp180 -31.32 -31.52 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.47 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 142' ' ' PHE . . . . . 0.643 ' N ' ' O ' ' B' ' 140' ' ' HIS . 21.8 m-85 -93.65 -29.78 15.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.447 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 143' ' ' LEU . . . . . 0.762 ' N ' ' O ' ' B' ' 140' ' ' HIS . 42.6 tp -58.95 -32.26 69.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.523 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 144' ' ' TRP . . . . . 0.448 ' O ' ' C ' ' B' ' 145' ' ' GLN . 9.8 m95 -88.53 -54.21 4.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.524 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 145' ' ' GLN . . . . . 0.448 ' C ' ' O ' ' B' ' 144' ' ' TRP . 48.2 tt0 -35.48 -69.15 0.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.509 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 146' ' ' ARG . . . . . . . . . . . . . 9.5 tpt180 -76.81 81.87 3.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.506 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 147' ' ' ARG . . . . . . . . . . . . . 60.8 ttp180 -145.53 143.36 29.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.608 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 148' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -54.09 92.41 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.505 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 67.3 ttt180 -58.0 -44.74 87.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.583 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 150' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.438 0 CA-C-O 118.023 -0.989 . . . . 0.0 110.586 -179.975 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 ptt? . . . . . 0 N--CA 1.491 1.617 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.994 ' O ' ' N ' ' A' ' 4' ' ' SER . 28.1 p-10 -105.17 -27.2 11.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.489 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.683 ' O ' ' OG ' ' A' ' 4' ' ' SER . . . 44.6 -18.37 0.0 OUTLIER Glycine 0 CA--C 1.525 0.696 0 N-CA-C 111.1 -0.8 . . . . 0.0 111.1 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.994 ' N ' ' O ' ' A' ' 2' ' ' ASP . 40.3 m 175.61 -26.47 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.772 0.32 . . . . 0.0 110.686 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 113.19 128.3 4.84 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 1.052 ' O ' ' HB3' ' A' ' 7' ' ' GLN . 5.1 tp10 -94.92 100.99 12.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.814 0.34 . . . . 0.0 110.595 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 1.052 ' HB3' ' O ' ' A' ' 6' ' ' GLU . 2.4 tp-100 101.71 65.02 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.438 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.935 ' O ' ' O ' ' A' ' 9' ' ' ARG . 51.2 Cg_exo -49.02 160.88 0.61 Allowed 'Trans proline' 0 C--N 1.304 -1.772 0 C-N-CA 122.823 2.348 . . . . 0.0 112.077 -179.809 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.935 ' O ' ' O ' ' A' ' 8' ' ' PRO . 28.1 mtp180 -18.98 157.19 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.543 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.473 ' O ' ' C ' ' A' ' 11' ' ' GLY . . . 153.52 12.5 0.07 OUTLIER Glycine 0 CA--C 1.525 0.699 0 N-CA-C 111.091 -0.803 . . . . 0.0 111.091 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.473 ' C ' ' O ' ' A' ' 10' ' ' GLY . . . -32.19 145.95 0.01 OUTLIER Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.617 ' N ' ' HD3' ' A' ' 13' ' ' PRO . . . 59.63 47.33 91.43 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.848 -0.901 . . . . 0.0 110.848 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 1.07 ' O ' ' N ' ' A' ' 15' ' ' SER . 66.3 Cg_exo -45.11 -65.43 0.19 Allowed 'Trans proline' 0 C--N 1.305 -1.719 0 C-N-CA 122.899 2.399 . . . . 0.0 112.053 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.613 ' C ' ' O ' ' A' ' 13' ' ' PRO . 76.6 p -19.6 63.09 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.615 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 1.07 ' N ' ' O ' ' A' ' 13' ' ' PRO . 22.5 p -50.16 88.03 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.424 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.511 ' N ' ' O ' ' A' ' 14' ' ' THR . 62.5 m -94.5 -15.72 23.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.724 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -91.67 -51.74 5.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.565 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -55.62 -32.97 63.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.772 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.852 HD12 ' O ' ' A' ' 15' ' ' SER . 65.5 mt -75.11 -51.45 21.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.742 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 13.0 ttt -56.94 -36.09 69.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.809 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -68.05 -44.12 77.12 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.71 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 41.3 p -72.59 -13.67 61.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.662 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -74.51 -54.29 6.15 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.439 ' O ' ' HB2' ' A' ' 28' ' ' GLN . . . -77.45 -10.32 59.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.853 0.359 . . . . 0.0 110.646 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.53 ' O ' ' C ' ' A' ' 26' ' ' LEU . 33.6 tp -86.53 -78.43 0.29 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.608 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.53 ' C ' ' O ' ' A' ' 25' ' ' LEU . 56.4 tp -29.14 -64.55 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.614 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.452 ' O ' HG12 ' A' ' 31' ' ' ILE . 60.0 tp -52.46 -56.32 15.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.546 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.84 HE22 ' H ' ' A' ' 48' ' ' ASP . 51.5 tt0 -48.77 -17.97 0.23 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.598 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.528 ' O ' ' N ' ' A' ' 31' ' ' ILE . . . -88.76 -72.13 1.27 Allowed Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -42.53 -18.98 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.837 0.351 . . . . 0.0 110.56 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.754 HD12 HG11 ' A' ' 121' ' ' VAL . 4.0 mm -77.01 -68.84 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.593 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.613 ' HB2' HD22 ' A' ' 45' ' ' LEU . 31.3 tt0 -79.16 29.78 0.22 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.604 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.41 ' H ' ' C ' ' A' ' 31' ' ' ILE . 68.3 t0 -112.76 -51.03 2.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.503 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 -91.24 -26.96 18.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.532 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.468 ' CB ' HD22 ' A' ' 122' ' ' LEU . . . -98.64 -13.24 20.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.576 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -92.04 20.6 41.89 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.474 ' O ' ' O ' ' A' ' 38' ' ' MET . 88.9 mtm180 -65.41 163.87 14.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.727 0.298 . . . . 0.0 110.586 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.474 ' O ' ' O ' ' A' ' 37' ' ' ARG . 93.3 mmm 54.35 161.74 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.572 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -58.68 140.33 47.53 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -161.44 90.86 0.11 Allowed Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 78.7 tt0 -66.47 154.34 40.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.758 0.314 . . . . 0.0 110.571 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 53.18 75.96 0.58 Allowed Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.558 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -74.51 139.29 25.48 Favored 'Trans proline' 0 C--N 1.305 -1.751 0 C-N-CA 122.827 2.352 . . . . 0.0 112.17 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -72.83 -19.07 61.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.534 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.845 HD23 ' O ' ' A' ' 45' ' ' LEU . 3.1 tt -92.34 73.01 5.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.538 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.406 ' O ' ' HG ' ' A' ' 47' ' ' LEU . . . -90.31 131.6 36.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.566 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.516 ' CB ' ' NE2' ' A' ' 28' ' ' GLN . 0.9 OUTLIER -170.66 -77.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.584 179.909 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.84 ' H ' HE22 ' A' ' 28' ' ' GLN . 0.6 OUTLIER 179.44 52.56 0.05 OUTLIER Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.615 179.957 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.654 ' HD3' ' N ' ' A' ' 48' ' ' ASP . 31.3 Cg_exo -54.91 -174.77 0.03 OUTLIER 'Trans proline' 0 C--N 1.306 -1.7 0 C-N-CA 122.792 2.328 . . . . 0.0 112.113 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.577 ' N ' ' HD3' ' A' ' 51' ' ' PRO . 25.1 t 63.27 53.8 1.73 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.601 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.577 ' HD3' ' N ' ' A' ' 50' ' ' VAL . 51.6 Cg_exo -49.9 159.87 1.49 Allowed 'Trans proline' 0 C--N 1.305 -1.762 0 C-N-CA 122.759 2.306 . . . . 0.0 112.015 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 76.0 mm-40 -100.33 -35.13 9.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.503 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.423 ' OD1' ' N ' ' A' ' 53' ' ' ASP . 29.5 p-10 -84.09 137.91 33.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.628 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -84.19 -1.44 55.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.58 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 58.5 m -61.22 -39.83 91.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.558 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.511 HG21 HD21 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -82.39 -33.78 28.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.608 179.923 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 31.7 ttpt -50.0 -54.74 18.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.6 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 30.2 ttpt -59.92 -47.94 83.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.583 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.627 HD23 ' O ' ' A' ' 59' ' ' LEU . 0.8 OUTLIER -61.83 -26.12 67.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.551 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.8 t -71.51 -35.27 70.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.569 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -64.08 -31.53 72.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.55 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.431 ' O ' HG22 ' A' ' 66' ' ' ILE . 92.1 m -64.45 -37.74 88.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.519 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.481 HD12 ' N ' ' A' ' 63' ' ' LEU . 9.0 mp -75.41 -24.6 57.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.591 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.0 ttpm? -84.26 -36.64 22.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.58 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.438 ' O ' ' OE2' ' A' ' 69' ' ' GLU . 95.0 mtt180 -68.61 -44.44 74.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.535 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.431 HG22 ' O ' ' A' ' 62' ' ' CYS . 20.6 tt -76.44 -35.11 25.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.547 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.425 ' O ' ' CB ' ' A' ' 71' ' ' ASP . . . -60.95 -45.45 96.56 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.425 ' O ' ' OD1' ' A' ' 68' ' ' ASP . 68.3 t0 -62.7 -34.29 76.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.753 0.311 . . . . 0.0 110.599 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.541 ' N ' ' OE1' ' A' ' 69' ' ' GLU . 0.3 OUTLIER -79.71 -58.36 3.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.578 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.26 -43.02 74.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.547 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.432 ' O ' ' OD1' ' A' ' 71' ' ' ASP . 53.2 t0 -65.13 -8.69 17.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.553 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.5 t -96.37 7.0 47.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.592 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -92.96 111.43 23.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.608 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 89.5 mtp -68.23 -11.18 58.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.528 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -80.51 -67.23 0.79 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.513 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 7.7 tp -59.93 -40.12 87.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.574 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 10.7 tm0? -61.91 -37.9 86.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.571 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 75.5 ttt180 -68.49 -44.93 73.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.536 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.485 ' SD ' HG23 ' A' ' 182' ' ' THR . 73.9 mtp -54.54 -43.87 72.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.577 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.637 ' O ' HG12 ' A' ' 83' ' ' VAL . 85.5 mt -62.46 -23.53 32.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.6 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -86.27 -18.6 31.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.555 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -86.69 -14.88 41.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.544 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.872 HG13 ' O ' ' A' ' 83' ' ' VAL . 8.1 p -89.96 82.06 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.551 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.444 ' O ' ' O ' ' A' ' 83' ' ' VAL . 43.6 p30 -39.9 162.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.557 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 97.8 m -119.49 119.07 32.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.656 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -147.6 -0.28 0.65 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.475 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.714 ' O ' HG12 ' A' ' 91' ' ' VAL . 47.4 t -176.12 90.47 0.27 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.491 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.477 ' O ' ' CB ' ' A' ' 92' ' ' PHE . 42.8 Cg_endo -71.03 -13.98 31.81 Favored 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 122.847 2.365 . . . . 0.0 112.127 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 16.1 ptt-85 -87.82 -32.32 19.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.546 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -81.5 -56.55 3.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.504 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.714 HG12 ' O ' ' A' ' 87' ' ' SER . 9.3 p -58.54 -50.43 78.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.529 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.643 ' N ' HG13 ' A' ' 91' ' ' VAL . 85.8 t80 -46.97 -51.28 17.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.478 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -68.62 -30.2 68.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.51 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 15.5 tpp180 -71.87 -57.65 4.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.555 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.621 HG23 ' N ' ' A' ' 96' ' ' ALA . 28.3 m -59.56 -47.84 89.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.528 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.621 ' N ' HG23 ' A' ' 95' ' ' VAL . . . -55.45 -27.69 49.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.462 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -81.76 -38.89 24.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.508 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.407 ' O ' ' C ' ' A' ' 99' ' ' MET . 99.8 m-20 -63.3 -38.56 91.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.578 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . 0.407 ' C ' ' O ' ' A' ' 98' ' ' ASP . 63.8 mtt -38.43 -68.78 0.14 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.546 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.608 ' CD2' ' O ' ' A' ' 100' ' ' PHE . 16.3 p90 -111.38 57.46 0.63 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.57 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.2 t -74.59 -26.82 60.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.607 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.532 ' O ' ' C ' ' A' ' 103' ' ' GLY . 55.6 p-10 -155.65 -18.18 0.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.539 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.532 ' C ' ' O ' ' A' ' 102' ' ' ASP . . . -26.45 -80.61 0.01 OUTLIER Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . 0.606 ' O ' ' CG ' ' A' ' 105' ' ' PHE . 25.9 t-20 174.44 34.49 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.782 0.325 . . . . 0.0 110.612 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.606 ' CG ' ' O ' ' A' ' 104' ' ' ASN . 31.2 p90 42.58 29.01 0.14 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.555 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.519 ' CG ' ' H ' ' A' ' 107' ' ' TRP . 29.0 p30 -52.14 -110.5 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.618 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' TRP . . . . . 0.547 ' NE1' HG21 ' A' ' 110' ' ' VAL . 6.7 t90 174.71 -26.21 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.608 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.601 ' O ' HG12 ' A' ' 111' ' ' VAL . . . -49.98 -42.13 38.34 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.959 -0.857 . . . . 0.0 110.959 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 5.7 ppt_? -48.13 -26.15 1.76 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.787 0.327 . . . . 0.0 110.616 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.547 HG21 ' NE1' ' A' ' 107' ' ' TRP . 33.1 t -52.44 -57.98 3.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.491 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.601 HG12 ' O ' ' A' ' 108' ' ' GLY . 4.9 p -45.32 -46.66 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.444 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.581 ' N ' HG13 ' A' ' 111' ' ' VAL . . . -58.06 -35.36 71.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.506 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.641 ' O ' HD23 ' A' ' 113' ' ' LEU . 1.8 tt -56.59 -46.9 80.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.63 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.451 ' CZ ' ' CG1' ' A' ' 110' ' ' VAL . 9.8 m-85 -56.98 -44.23 82.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.523 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 92.6 t80 -67.86 -43.82 78.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.591 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.458 ' CE2' HG21 ' A' ' 95' ' ' VAL . 93.2 t80 -58.96 -41.9 88.58 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.514 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -70.78 -32.72 69.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.544 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 4.9 t -48.44 -44.68 35.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.565 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.82 ' O ' ' CB ' ' A' ' 123' ' ' LYS . 55.0 mmtt -59.36 -43.61 92.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.659 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 53.1 mt -68.13 -31.5 71.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.605 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.759 HG13 HG23 ' A' ' 133' ' ' ILE . 75.5 t -76.97 -53.28 15.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.542 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.468 HD22 ' CB ' ' A' ' 35' ' ' ALA . 68.6 mt -73.18 -40.57 64.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.564 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.82 ' CB ' ' O ' ' A' ' 119' ' ' LYS . 88.7 tttt -58.41 -40.91 83.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.53 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.523 ' O ' ' OG1' ' A' ' 127' ' ' THR . . . -76.09 -21.26 56.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.562 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 6.9 tp -63.62 -31.26 72.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.607 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . 0.455 ' SG ' ' N ' ' A' ' 127' ' ' THR . 13.8 p -84.84 -34.54 22.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.601 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.784 ' O ' ' HB2' ' A' ' 128' ' ' LYS . 26.3 p -53.96 -18.32 3.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.565 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.784 ' HB2' ' O ' ' A' ' 127' ' ' THR . 26.9 mmtp 88.07 42.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.573 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.47 HG22 ' OG1' ' A' ' 127' ' ' THR . 1.7 m -146.96 92.99 4.85 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.626 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -74.91 -13.33 21.66 Favored 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 122.845 2.364 . . . . 0.0 112.074 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . 0.776 ' O ' HG23 ' A' ' 135' ' ' THR . 78.8 tt0 -66.22 -38.83 88.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.564 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.52 ' HA ' ' OG1' ' A' ' 135' ' ' THR . 2.4 tp -63.06 -31.87 73.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.529 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.759 HG23 HG13 ' A' ' 121' ' ' VAL . 8.0 mm -59.28 -49.09 84.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.482 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 88.7 mtm180 -69.55 -34.66 74.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.485 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . 0.776 HG23 ' O ' ' A' ' 131' ' ' GLU . 61.7 p -67.31 -32.04 72.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.486 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.431 HG21 ' CG2' ' A' ' 121' ' ' VAL . 47.2 mt -69.72 -58.6 5.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.561 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 55.2 mtt -46.71 -25.44 0.73 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.442 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -68.71 -40.58 85.4 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' TRP . . . . . 0.566 ' CD1' ' N ' ' A' ' 139' ' ' TRP . 7.5 m0 -66.23 -24.44 66.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.778 0.323 . . . . 0.0 110.554 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' THR . . . . . 0.475 ' OG1' ' N ' ' A' ' 141' ' ' LEU . 21.1 p -75.58 -65.89 0.84 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.535 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.475 ' N ' ' OG1' ' A' ' 140' ' ' THR . 52.8 mt -51.86 -33.44 36.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.578 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -65.83 -51.05 62.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.533 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . 0.452 ' O ' ' HB2' ' A' ' 147' ' ' ARG . 6.4 t80 -66.83 -38.83 87.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.565 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.582 HD12 ' HB2' ' A' ' 148' ' ' LEU . 2.0 tp -71.15 -35.55 71.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.476 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 57.9 ttp180 -83.01 -10.62 58.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.574 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -112.04 -4.62 14.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.582 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . 1.152 ' O ' ' N ' ' A' ' 149' ' ' LEU . 19.5 mtp180 -142.23 -110.88 0.13 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.546 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . 0.834 ' H ' HD22 ' A' ' 148' ' ' LEU . 1.0 OUTLIER -15.29 -27.83 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.595 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . 1.152 ' N ' ' O ' ' A' ' 147' ' ' ARG . 59.3 tp -49.09 -56.31 9.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.54 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -63.87 -50.65 59.59 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 151' ' ' TRP . . . . . . . . . . . . . 99.4 m95 -66.26 -55.81 14.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.791 0.329 . . . . 0.0 110.541 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 152' ' ' ILE . . . . . 0.697 ' N ' ' O ' ' A' ' 148' ' ' LEU . 10.3 tt -51.31 -34.41 14.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.561 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . 0.565 ' NE2' HD11 ' A' ' 149' ' ' LEU . 50.9 mt-30 -67.41 -31.42 71.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.528 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -88.83 -4.62 58.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.639 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -97.49 0.89 48.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.54 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 83.6 24.76 49.16 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 89.7 -160.42 28.87 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.874 -0.891 . . . . 0.0 110.874 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 158' ' ' TRP . . . . . 0.437 ' CD1' HD11 ' A' ' 152' ' ' ILE . 37.7 m95 -73.86 -5.66 42.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.812 0.339 . . . . 0.0 110.57 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -60.83 -42.46 97.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.539 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -54.35 -32.37 51.76 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . 0.579 HD23 ' O ' ' A' ' 161' ' ' LEU . 2.0 tt -62.83 -54.15 43.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.708 0.29 . . . . 0.0 110.513 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 48.6 tp -66.85 -31.23 71.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.582 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 20.9 t -66.54 -26.83 67.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.554 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 94.5 t80 -75.79 -42.97 48.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.567 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -71.82 47.88 0.15 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.537 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -130.5 39.08 1.85 Allowed Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 167' ' ' THR . . . . . 1.177 ' OG1' ' HD2' ' A' ' 168' ' ' PRO . 0.6 OUTLIER -108.6 -176.45 0.4 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 120.978 0.418 . . . . 0.0 110.594 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 168' ' ' PRO . . . . . 1.177 ' HD2' ' OG1' ' A' ' 167' ' ' THR . 61.3 Cg_endo -77.67 -147.76 0.03 OUTLIER 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 122.896 2.398 . . . . 0.0 112.212 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 169' ' ' THR . . . . . 0.606 ' C ' ' O ' ' A' ' 168' ' ' PRO . 20.8 p -20.28 98.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.611 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 170' ' ' TRP . . . . . 0.683 ' O ' HG22 ' A' ' 173' ' ' VAL . 30.8 p90 -63.19 -18.48 63.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.58 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 171' ' ' GLN . . . . . 0.53 ' NE2' ' OG1' ' A' ' 172' ' ' THR . 5.5 pp0? -47.37 -13.83 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.556 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 172' ' ' THR . . . . . 0.53 ' OG1' ' NE2' ' A' ' 171' ' ' GLN . 5.5 m -87.34 -29.58 21.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.493 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 173' ' ' VAL . . . . . 0.683 HG22 ' O ' ' A' ' 170' ' ' TRP . 2.0 m -71.94 -45.68 63.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.604 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 174' ' ' THR . . . . . 0.566 ' N ' ' CG2' ' A' ' 173' ' ' VAL . 24.9 m -64.51 -25.04 67.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.526 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 175' ' ' ILE . . . . . 0.512 HG22 ' O ' ' A' ' 172' ' ' THR . 1.6 tt -85.68 -7.62 10.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.57 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 176' ' ' PHE . . . . . 0.482 ' O ' HG12 ' A' ' 180' ' ' VAL . 64.1 t80 -94.48 -60.17 1.78 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.617 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 3.0 m -62.02 -16.71 16.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.586 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 178' ' ' ALA . . . . . 0.621 ' O ' ' OG1' ' A' ' 182' ' ' THR . . . -95.51 -45.92 6.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.608 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -62.28 -26.18 67.52 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 180' ' ' VAL . . . . . 0.699 HG13 ' N ' ' A' ' 181' ' ' LEU . 13.7 p -86.26 -51.73 12.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.793 0.33 . . . . 0.0 110.553 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . 0.699 ' N ' HG13 ' A' ' 180' ' ' VAL . 41.3 tp -69.27 -48.01 62.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.553 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 182' ' ' THR . . . . . 0.621 ' OG1' ' O ' ' A' ' 178' ' ' ALA . 26.1 m -50.53 -51.26 49.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.597 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -47.47 -45.63 26.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.547 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 184' ' ' SER . . . . . . . . . . . . . 27.5 t -54.52 -37.77 65.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.616 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 61.6 mt -77.7 -21.68 51.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.569 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 21.0 m -73.27 -44.83 58.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.524 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 187' ' ' ILE . . . . . 0.637 HG23 ' N ' ' A' ' 188' ' ' TRP . 12.5 tt -73.68 -51.59 24.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.614 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 188' ' ' TRP . . . . . 0.637 ' N ' HG23 ' A' ' 187' ' ' ILE . 0.2 OUTLIER -30.75 -56.94 0.22 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.593 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 8.0 mmtt -175.75 128.29 0.24 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.581 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 190' ' ' LYS . . . . . . . . . . . . . 14.8 ptmt -109.91 89.53 3.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.564 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 191' ' ' MET . . . . . . . . . . . . . 83.7 mtp -128.62 136.57 50.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.609 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.711 0 CA-C-O 118.04 -1.422 . . . . 0.0 110.938 -179.934 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 130' ' ' CYS . . . . . . . . . . . . . 26.5 p . . . . . 0 N--CA 1.49 1.575 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 131' ' ' GLU . . . . . . . . . . . . . 66.9 mm-40 -64.6 -55.81 17.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.502 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -52.75 167.4 0.15 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.576 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 61.2 tp -57.39 -39.82 76.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.601 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 134' ' ' LYS . . . . . . . . . . . . . 50.3 tttm -177.22 -76.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.614 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 135' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -143.34 149.91 38.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.659 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 136' ' ' ALA . . . . . 0.547 ' C ' HD12 ' B' ' 137' ' ' LEU . . . -144.82 135.12 24.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.414 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 137' ' ' LEU . . . . . 0.72 ' H ' ' NH2' ' B' ' 141' ' ' ARG . 7.0 mp -97.55 134.06 41.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.615 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 138' ' ' ARG . . . . . 0.505 ' O ' ' HB2' ' B' ' 142' ' ' PHE . 34.2 mmt180 -89.81 -9.98 47.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.472 179.732 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 139' ' ' ARG . . . . . . . . . . . . . 75.3 ttt180 -61.79 -44.7 96.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.515 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 140' ' ' HIS . . . . . 0.696 ' O ' ' N ' ' B' ' 143' ' ' LEU . 31.3 t-80 -79.64 -65.12 1.04 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.507 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 141' ' ' ARG . . . . . 0.72 ' NH2' ' H ' ' B' ' 137' ' ' LEU . 1.2 mpp_? -34.8 -31.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.384 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 142' ' ' PHE . . . . . 0.549 ' N ' ' O ' ' B' ' 140' ' ' HIS . 12.0 m-85 -92.96 -29.39 15.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.441 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 143' ' ' LEU . . . . . 0.696 ' N ' ' O ' ' B' ' 140' ' ' HIS . 33.3 tp -58.42 -34.55 70.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.649 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 144' ' ' TRP . . . . . 0.475 ' O ' ' C ' ' B' ' 145' ' ' GLN . 59.8 t-105 -85.48 -56.0 3.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.588 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 145' ' ' GLN . . . . . 0.475 ' C ' ' O ' ' B' ' 144' ' ' TRP . 5.1 tm0? -33.62 -71.54 0.06 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.636 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 146' ' ' ARG . . . . . . . . . . . . . 66.4 ttt180 -94.15 117.27 29.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.651 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 147' ' ' ARG . . . . . . . . . . . . . 43.6 ttm180 -154.97 108.82 2.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.576 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 148' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -72.35 -38.81 68.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.652 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 85.3 mtm-85 -109.75 119.03 38.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.661 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 150' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.476 0 CA-C-O 118.045 -0.978 . . . . 0.0 110.489 -179.939 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.416 ' HG3' ' N ' ' A' ' 2' ' ' ASP . 10.6 ptt? . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.696 ' CG ' ' H ' ' A' ' 3' ' ' GLY . 20.1 p-10 -52.5 -66.75 0.33 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.537 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.696 ' H ' ' CG ' ' A' ' 2' ' ' ASP . . . 94.71 -49.42 2.04 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.5 m -165.0 -26.1 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.766 0.317 . . . . 0.0 110.607 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -170.15 -121.56 0.59 Allowed Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.839 ' O ' ' HB3' ' A' ' 7' ' ' GLN . 4.7 tp10 -136.73 118.11 14.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.814 0.34 . . . . 0.0 110.589 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.839 ' HB3' ' O ' ' A' ' 6' ' ' GLU . 6.7 tp-100 90.11 30.49 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.59 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 1.239 ' O ' ' O ' ' A' ' 9' ' ' ARG . 55.8 Cg_endo -73.38 66.13 4.49 Favored 'Trans proline' 0 C--N 1.306 -1.705 0 C-N-CA 122.799 2.333 . . . . 0.0 112.066 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 1.239 ' O ' ' O ' ' A' ' 8' ' ' PRO . 4.5 mtp180 4.84 152.24 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.788 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -105.94 91.49 0.74 Allowed Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.677 -0.969 . . . . 0.0 110.677 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -69.36 -16.55 71.49 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -122.57 148.91 16.96 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.671 ' O ' ' C ' ' A' ' 14' ' ' THR . 54.4 Cg_exo -46.85 -100.1 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.723 0 C-N-CA 122.743 2.295 . . . . 0.0 112.095 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.671 ' C ' ' O ' ' A' ' 13' ' ' PRO . 70.3 p 10.6 98.76 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.586 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.86 ' O ' HD12 ' A' ' 19' ' ' ILE . 2.9 p -142.58 -149.8 0.29 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.61 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.47 ' H ' ' HB2' ' A' ' 15' ' ' SER . 49.3 m -99.88 -13.25 19.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.597 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -84.83 -47.94 9.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.47 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.516 ' CD ' ' O ' ' A' ' 18' ' ' GLN . 20.5 tm0? -66.46 -23.1 66.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.582 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.86 HD12 ' O ' ' A' ' 15' ' ' SER . 93.8 mt -82.02 -55.26 8.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.51 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.42 ' C ' ' SD ' ' A' ' 20' ' ' MET . 10.2 tmm? -52.82 -37.15 59.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.527 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 29.0 ttmt -66.77 -47.06 73.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.453 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.501 HG22 ' O ' ' A' ' 22' ' ' THR . 92.8 m -71.35 -7.99 50.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.566 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -79.54 -54.23 4.06 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.44 -8.96 59.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.804 0.335 . . . . 0.0 110.522 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.548 ' O ' ' C ' ' A' ' 26' ' ' LEU . 23.0 mt -86.88 -80.49 0.24 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.613 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.548 ' C ' ' O ' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -27.07 -65.71 0.07 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.642 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.421 ' C ' ' N ' ' A' ' 29' ' ' GLY . 6.2 tp -51.23 -57.8 7.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.598 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.529 ' NE2' ' C ' ' A' ' 28' ' ' GLN . 0.0 OUTLIER -47.48 -18.0 0.11 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.539 -179.947 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.541 ' O ' ' N ' ' A' ' 31' ' ' ILE . . . -88.7 -72.65 1.28 Allowed Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 42.0 t80 -42.15 -18.91 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.839 0.352 . . . . 0.0 110.623 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.541 ' N ' ' O ' ' A' ' 29' ' ' GLY . 73.8 mt -76.96 -69.2 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.575 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -78.99 30.14 0.21 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.589 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.413 ' H ' ' C ' ' A' ' 31' ' ' ILE . 66.4 t0 -113.06 -50.78 2.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.589 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 15.2 ptm180 -91.57 -26.74 18.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.599 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.47 ' CB ' HD22 ' A' ' 122' ' ' LEU . . . -99.01 -13.63 19.81 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.596 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.506 ' O ' ' N ' ' A' ' 38' ' ' MET . . . -62.53 -120.31 0.01 OUTLIER Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.986 -0.845 . . . . 0.0 110.986 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 8.0 tpt180 62.95 -71.76 0.05 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.819 0.342 . . . . 0.0 110.601 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.506 ' N ' ' O ' ' A' ' 36' ' ' GLY . 2.8 ptp -61.66 -44.66 96.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.605 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -69.79 168.43 46.76 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.522 ' C ' ' HD3' ' A' ' 43' ' ' PRO . . . 157.69 -59.37 0.34 Allowed Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.909 -0.877 . . . . 0.0 110.909 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 54.8 mp0 -70.31 -39.36 74.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.806 0.336 . . . . 0.0 110.564 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.547 ' N ' ' HD3' ' A' ' 43' ' ' PRO . . . -143.05 54.8 3.46 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.631 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.547 ' HD3' ' N ' ' A' ' 42' ' ' ALA . 51.0 Cg_exo -49.12 155.0 3.14 Favored 'Trans proline' 0 C--N 1.305 -1.749 0 C-N-CA 122.835 2.356 . . . . 0.0 112.115 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 75.1 mt-10 -92.48 -11.86 33.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.565 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.49 ' HA ' HD22 ' A' ' 45' ' ' LEU . 0.3 OUTLIER -98.85 63.54 1.39 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.592 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.424 ' O ' ' HB2' ' A' ' 47' ' ' LEU . . . -70.94 141.09 51.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.529 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.445 ' O ' ' CG ' ' A' ' 48' ' ' ASP . 56.2 tp 176.88 -83.91 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.544 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.476 ' HB3' ' HD2' ' A' ' 49' ' ' PRO . 43.9 m-20 -163.98 161.96 16.52 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.614 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.476 ' HD2' ' HB3' ' A' ' 48' ' ' ASP . 47.5 Cg_endo -72.44 -81.47 0.01 OUTLIER 'Trans proline' 0 C--N 1.304 -1.766 0 C-N-CA 122.83 2.353 . . . . 0.0 112.129 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.808 ' O ' HG13 ' A' ' 50' ' ' VAL . 13.0 p 177.03 74.33 0.1 OUTLIER Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.627 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_endo -72.86 -1.19 10.06 Favored 'Trans proline' 0 C--N 1.305 -1.757 0 C-N-CA 122.823 2.349 . . . . 0.0 112.022 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.809 ' O ' ' OD1' ' A' ' 53' ' ' ASP . 10.4 tt0 -76.36 -121.78 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.564 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.809 ' OD1' ' O ' ' A' ' 52' ' ' GLN . 87.8 m-20 -151.2 -161.6 1.37 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.591 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -80.18 -1.03 38.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.542 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.604 ' O ' HD13 ' A' ' 59' ' ' LEU . 11.4 t -60.12 -39.84 87.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.592 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.491 ' CG2' ' OE1' ' A' ' 52' ' ' GLN . 6.8 p -81.97 -34.0 29.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.572 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 66.5 mmtt -50.17 -54.87 17.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.586 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -59.84 -47.77 84.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.629 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.604 HD13 ' O ' ' A' ' 55' ' ' SER . 3.8 mp -61.94 -26.28 68.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.491 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.4 t -71.37 -35.38 71.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.566 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -63.84 -31.72 73.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.545 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 95.3 m -64.35 -37.74 88.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.572 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.435 HD12 ' N ' ' A' ' 63' ' ' LEU . 11.2 mp -75.3 -24.76 57.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.53 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 25.1 ttpp -84.22 -36.68 22.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.59 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -68.46 -44.5 74.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.529 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 18.4 tt -76.43 -35.13 26.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.555 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.425 ' O ' ' CB ' ' A' ' 71' ' ' ASP . . . -61.06 -45.42 96.62 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.421 ' O ' ' OD1' ' A' ' 68' ' ' ASP . 68.0 t0 -62.78 -34.21 76.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.748 0.309 . . . . 0.0 110.592 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 41.8 tp10 -79.71 -58.49 3.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.597 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 2.1 mt -55.09 -43.13 73.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.559 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.436 ' O ' ' OD1' ' A' ' 71' ' ' ASP . 55.4 t0 -65.05 -8.78 17.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.593 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.9 t -96.33 7.07 47.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.572 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -92.9 111.48 23.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.597 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 6.9 ptt? -68.35 -11.24 59.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.543 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -80.32 -67.32 0.78 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.6 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 51.5 tp -59.82 -40.24 87.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.545 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 3.4 tm0? -61.82 -37.94 86.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.511 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 77.3 ttt180 -68.53 -44.89 73.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.5 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.481 ' SD ' HG23 ' A' ' 182' ' ' THR . 73.5 mtp -54.59 -43.84 72.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.566 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.641 ' O ' HG12 ' A' ' 83' ' ' VAL . 84.8 mt -62.44 -23.68 32.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.566 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -86.03 -18.71 31.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.577 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -86.55 -15.02 41.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.592 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.874 HG13 ' O ' ' A' ' 83' ' ' VAL . 8.0 p -89.86 82.55 2.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.603 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.41 ' O ' ' O ' ' A' ' 83' ' ' VAL . 54.8 p-10 -40.84 162.06 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.536 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 87.8 m -119.39 120.53 37.15 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.62 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 29.8 t0 -149.0 -0.49 0.51 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.495 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.681 ' O ' HG12 ' A' ' 91' ' ' VAL . 44.9 t -175.41 87.27 0.3 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.487 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.503 ' O ' ' CB ' ' A' ' 92' ' ' PHE . 34.8 Cg_endo -67.86 -15.8 44.59 Favored 'Trans proline' 0 C--N 1.304 -1.765 0 C-N-CA 122.765 2.31 . . . . 0.0 112.106 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 15.3 ptt-85 -85.84 -34.51 21.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.501 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -78.85 -57.74 3.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.595 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.681 HG12 ' O ' ' A' ' 87' ' ' SER . 9.2 p -57.32 -51.51 68.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.551 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.661 ' N ' HG13 ' A' ' 91' ' ' VAL . 74.4 t80 -45.84 -52.4 11.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.494 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 91.3 t80 -67.92 -30.0 69.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.581 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 16.2 tpp180 -71.8 -57.43 4.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.545 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.617 HG23 ' N ' ' A' ' 96' ' ' ALA . 26.6 m -59.93 -47.81 90.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.572 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.617 ' N ' HG23 ' A' ' 95' ' ' VAL . . . -55.2 -27.77 48.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.531 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -81.71 -38.86 25.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.544 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.407 ' O ' ' C ' ' A' ' 99' ' ' MET . 99.6 m-20 -63.3 -38.67 92.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.495 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . 0.407 ' C ' ' O ' ' A' ' 98' ' ' ASP . 65.1 mtt -38.39 -68.75 0.14 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.639 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.663 ' CG ' ' NH2' ' A' ' 109' ' ' ARG . 9.2 p90 -111.35 57.49 0.63 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.614 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.2 t -74.61 -26.88 60.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.596 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.534 ' O ' ' C ' ' A' ' 103' ' ' GLY . 54.1 p-10 -155.58 -18.3 0.11 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.561 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.534 ' C ' ' O ' ' A' ' 102' ' ' ASP . . . -26.43 -80.71 0.01 OUTLIER Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . 0.608 ' O ' ' CG ' ' A' ' 105' ' ' PHE . 9.2 m-20 174.53 34.42 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.749 0.309 . . . . 0.0 110.572 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.608 ' CG ' ' O ' ' A' ' 104' ' ' ASN . 29.5 p90 42.67 29.1 0.15 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.571 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.538 ' OD1' ' NE ' ' A' ' 109' ' ' ARG . 5.1 p-10 -52.13 -110.47 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.582 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' TRP . . . . . 0.551 ' NE1' HG21 ' A' ' 110' ' ' VAL . 6.7 t90 174.54 -26.12 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.561 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.585 ' O ' HG12 ' A' ' 111' ' ' VAL . . . -50.06 -42.22 39.22 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.746 ' H ' ' CD ' ' A' ' 109' ' ' ARG . 0.0 OUTLIER -47.98 -26.24 1.69 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.831 0.348 . . . . 0.0 110.624 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.551 HG21 ' NE1' ' A' ' 107' ' ' TRP . 34.6 t -52.4 -57.96 3.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.52 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.585 HG12 ' O ' ' A' ' 108' ' ' GLY . 4.6 p -45.28 -46.82 3.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.529 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.58 ' N ' HG13 ' A' ' 111' ' ' VAL . . . -58.11 -34.84 70.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.509 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.68 ' O ' HD23 ' A' ' 113' ' ' LEU . 2.2 tt -56.99 -46.88 81.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.583 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -57.26 -43.96 83.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.557 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 92.3 t80 -67.94 -43.58 78.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.536 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.447 ' CE2' HG21 ' A' ' 95' ' ' VAL . 91.9 t80 -59.16 -41.78 89.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.529 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.509 ' O ' HG23 ' A' ' 121' ' ' VAL . . . -71.0 -32.51 69.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.499 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 5.7 t -48.68 -44.28 37.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.553 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.82 ' O ' ' CB ' ' A' ' 123' ' ' LYS . 55.9 mmtt -59.8 -43.73 94.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.542 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 53.8 mt -68.02 -31.34 70.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.521 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.706 HG13 HG23 ' A' ' 133' ' ' ILE . 53.8 t -77.11 -53.5 14.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.567 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.47 HD22 ' CB ' ' A' ' 35' ' ' ALA . 70.0 mt -72.87 -41.0 65.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.518 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.82 ' CB ' ' O ' ' A' ' 119' ' ' LYS . 62.6 tttm -58.04 -41.13 82.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.53 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.517 ' O ' ' OG1' ' A' ' 127' ' ' THR . . . -75.67 -21.83 57.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.551 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 6.2 tt -63.23 -32.18 73.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.554 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 85.0 m -83.2 -35.71 25.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.628 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.74 ' O ' ' HB2' ' A' ' 128' ' ' LYS . 36.7 p -53.66 -19.01 3.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.533 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.74 ' HB2' ' O ' ' A' ' 127' ' ' THR . 64.2 mttm 87.15 45.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.532 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.503 ' CG2' ' OG1' ' A' ' 127' ' ' THR . 0.2 OUTLIER -148.7 88.19 5.32 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.551 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . 0.406 ' HA ' HG12 ' A' ' 133' ' ' ILE . 39.7 Cg_endo -70.36 -13.14 32.85 Favored 'Trans proline' 0 C--N 1.307 -1.653 0 C-N-CA 122.769 2.312 . . . . 0.0 112.075 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -65.07 -41.28 95.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.536 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 8.4 mp -61.36 -34.5 75.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.41 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.706 HG23 HG13 ' A' ' 121' ' ' VAL . 21.4 mm -56.14 -50.53 70.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.466 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 41.5 mtm105 -68.95 -34.9 76.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.509 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 16.8 m -67.25 -31.84 72.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.496 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.425 HG21 ' CG2' ' A' ' 121' ' ' VAL . 44.4 mt -69.78 -59.02 3.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.485 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 82.7 mtp -46.29 -25.43 0.63 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.537 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -68.81 -40.42 85.02 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -66.4 -24.37 66.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.871 0.367 . . . . 0.0 110.562 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' THR . . . . . 0.47 ' OG1' ' N ' ' A' ' 141' ' ' LEU . 22.4 p -75.57 -65.85 0.85 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.529 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.47 ' N ' ' OG1' ' A' ' 140' ' ' THR . 54.2 mt -51.73 -33.69 35.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.525 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -65.73 -51.01 62.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.58 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . 0.435 ' O ' ' HB2' ' A' ' 147' ' ' ARG . 4.7 t80 -66.89 -38.82 86.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.551 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.572 HD12 ' HB2' ' A' ' 148' ' ' LEU . 1.8 tp -71.07 -35.52 71.91 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.568 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 58.8 ttp180 -82.97 -10.72 58.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.597 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -111.97 -4.62 14.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.536 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . 1.155 ' O ' ' N ' ' A' ' 149' ' ' LEU . 17.9 mtp180 -142.21 -110.84 0.13 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.604 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . 0.802 ' H ' HD22 ' A' ' 148' ' ' LEU . 1.0 OUTLIER -15.42 -27.7 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.558 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . 1.155 ' N ' ' O ' ' A' ' 147' ' ' ARG . 46.6 tp -49.06 -56.36 9.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.542 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -63.97 -50.57 59.88 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 151' ' ' TRP . . . . . . . . . . . . . 99.5 m95 -66.23 -55.84 14.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.804 0.335 . . . . 0.0 110.595 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 152' ' ' ILE . . . . . 0.698 ' N ' ' O ' ' A' ' 148' ' ' LEU . 10.1 tt -51.33 -34.32 14.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.564 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . 0.603 HE21 HD11 ' A' ' 19' ' ' ILE . 3.7 mm-40 -67.44 -31.39 71.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.535 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -88.91 -4.6 58.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.543 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -97.41 0.78 48.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.591 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 83.66 24.65 49.29 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 89.81 -160.42 28.73 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 158' ' ' TRP . . . . . 0.435 ' CD1' HD11 ' A' ' 152' ' ' ILE . 52.7 m95 -73.92 -5.57 41.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.768 0.318 . . . . 0.0 110.569 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . 0.403 ' C ' ' OD1' ' A' ' 159' ' ' ASP . 62.4 t0 -60.9 -42.48 98.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.579 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -54.43 -32.13 52.04 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . 0.592 HD23 ' O ' ' A' ' 161' ' ' LEU . 2.0 tt -62.92 -54.07 44.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.816 0.341 . . . . 0.0 110.514 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 43.8 tp -67.1 -31.05 71.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.539 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 21.3 t -66.77 -26.25 66.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.633 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 90.3 t80 -76.64 -42.67 41.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.556 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -71.66 48.13 0.15 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.539 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -131.11 39.17 1.82 Allowed Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 167' ' ' THR . . . . . 1.134 ' OG1' ' HD2' ' A' ' 168' ' ' PRO . 0.6 OUTLIER -108.73 -179.99 0.77 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 120.935 0.398 . . . . 0.0 110.523 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 168' ' ' PRO . . . . . 1.134 ' HD2' ' OG1' ' A' ' 167' ' ' THR . 50.9 Cg_endo -73.17 -146.26 0.02 OUTLIER 'Trans proline' 0 C--N 1.306 -1.677 0 C-N-CA 122.743 2.295 . . . . 0.0 112.068 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 169' ' ' THR . . . . . 0.595 ' C ' ' O ' ' A' ' 168' ' ' PRO . 4.1 p -22.57 101.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.522 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 170' ' ' TRP . . . . . 0.692 ' O ' HG22 ' A' ' 173' ' ' VAL . 28.3 p90 -65.08 -18.39 65.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.627 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 171' ' ' GLN . . . . . 0.532 ' NE2' ' OG1' ' A' ' 172' ' ' THR . 4.5 pp0? -47.43 -14.16 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.542 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 172' ' ' THR . . . . . 0.532 ' OG1' ' NE2' ' A' ' 171' ' ' GLN . 97.1 m -86.89 -29.49 22.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.53 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 173' ' ' VAL . . . . . 0.692 HG22 ' O ' ' A' ' 170' ' ' TRP . 2.0 m -72.14 -45.61 61.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.59 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 174' ' ' THR . . . . . 0.564 ' N ' ' CG2' ' A' ' 173' ' ' VAL . 24.9 m -64.55 -24.96 67.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.584 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 175' ' ' ILE . . . . . 0.528 HG22 ' O ' ' A' ' 172' ' ' THR . 1.8 tt -85.73 -7.55 10.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.574 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 176' ' ' PHE . . . . . 0.482 ' O ' HG12 ' A' ' 180' ' ' VAL . 62.3 t80 -94.59 -60.12 1.78 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.568 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 3.1 m -62.11 -16.62 16.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.623 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 178' ' ' ALA . . . . . 0.621 ' O ' ' OG1' ' A' ' 182' ' ' THR . . . -95.58 -46.02 6.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.487 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -62.24 -26.23 67.51 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 180' ' ' VAL . . . . . 0.7 HG13 ' N ' ' A' ' 181' ' ' LEU . 13.6 p -86.17 -51.83 12.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.826 0.346 . . . . 0.0 110.554 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . 0.7 ' N ' HG13 ' A' ' 180' ' ' VAL . 45.9 tp -69.24 -48.06 62.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.557 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 182' ' ' THR . . . . . 0.621 ' OG1' ' O ' ' A' ' 178' ' ' ALA . 25.7 m -50.39 -51.46 46.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.546 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -47.27 -45.77 24.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.581 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 184' ' ' SER . . . . . . . . . . . . . 29.4 t -54.37 -37.94 65.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.556 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 66.1 mt -77.63 -21.73 51.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.564 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 21.9 m -73.28 -44.81 58.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.538 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 187' ' ' ILE . . . . . 0.636 HG23 ' N ' ' A' ' 188' ' ' TRP . 12.3 tt -73.63 -51.63 24.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.585 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 188' ' ' TRP . . . . . 0.636 ' N ' HG23 ' A' ' 187' ' ' ILE . 0.2 OUTLIER -30.77 -56.93 0.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.57 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 7.6 mmtt -175.71 128.28 0.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.572 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 190' ' ' LYS . . . . . . . . . . . . . 16.4 pttm -109.9 89.52 3.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.555 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 191' ' ' MET . . . . . . . . . . . . . 93.0 mtp -128.6 136.62 50.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.576 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.717 0 CA-C-O 118.023 -1.432 . . . . 0.0 110.866 -179.965 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 130' ' ' CYS . . . . . . . . . . . . . 8.8 t . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 131' ' ' GLU . . . . . . . . . . . . . 73.5 tt0 -71.73 -46.87 57.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.601 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -54.56 144.38 21.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.573 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 86.0 mt -70.77 135.44 48.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.592 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 134' ' ' LYS . . . . . . . . . . . . . 52.1 tttp -143.3 143.85 31.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.569 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 135' ' ' LYS . . . . . 0.486 ' O ' ' HB3' ' B' ' 136' ' ' ALA . 0.2 OUTLIER 58.94 159.46 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.62 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 136' ' ' ALA . . . . . 0.486 ' HB3' ' O ' ' B' ' 135' ' ' LYS . . . 68.14 5.06 4.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.547 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 137' ' ' LEU . . . . . 0.432 HD23 ' HA ' ' B' ' 137' ' ' LEU . 96.1 mt -65.21 -39.87 93.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.493 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 138' ' ' ARG . . . . . 0.525 ' O ' ' HB2' ' B' ' 142' ' ' PHE . 10.6 ptp85 -153.1 -5.85 0.19 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.522 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 139' ' ' ARG . . . . . . . . . . . . . 73.5 mmt-85 -58.99 -44.52 91.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.521 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 140' ' ' HIS . . . . . 0.785 ' O ' ' N ' ' B' ' 143' ' ' LEU . 5.5 m170 -81.22 -67.64 0.76 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.497 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 141' ' ' ARG . . . . . 0.503 ' C ' ' O ' ' B' ' 140' ' ' HIS . 0.0 OUTLIER -31.13 -30.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.487 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 142' ' ' PHE . . . . . 0.652 ' N ' ' O ' ' B' ' 140' ' ' HIS . 6.2 m-85 -94.01 -28.19 15.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.469 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 143' ' ' LEU . . . . . 0.785 ' N ' ' O ' ' B' ' 140' ' ' HIS . 41.1 tp -60.44 -32.66 71.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.623 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 144' ' ' TRP . . . . . 0.699 ' HE1' ' NE2' ' B' ' 148' ' ' GLN . 60.7 t-105 -88.62 -53.0 4.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.553 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 145' ' ' GLN . . . . . 0.433 ' C ' ' O ' ' B' ' 144' ' ' TRP . 7.9 tt0 -36.33 -68.7 0.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.556 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 146' ' ' ARG . . . . . . . . . . . . . 43.0 ttm180 -55.41 -43.34 75.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.571 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 147' ' ' ARG . . . . . 0.456 ' O ' ' O ' ' B' ' 144' ' ' TRP . 81.7 mtp180 -99.64 94.35 6.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.507 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 148' ' ' GLN . . . . . 0.699 ' NE2' ' HE1' ' B' ' 144' ' ' TRP . 54.4 tt0 -160.42 100.57 1.34 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.585 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 83.3 mtt85 -66.01 -38.54 88.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.555 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 150' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.514 0 CA-C-O 117.998 -1.001 . . . . 0.0 110.617 179.957 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.3 ptt? . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 1.161 ' O ' ' N ' ' A' ' 4' ' ' SER . 45.6 p30 -49.75 -50.89 42.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.567 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.932 ' N ' ' OD1' ' A' ' 2' ' ' ASP . . . 10.59 -52.73 0.0 OUTLIER Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 1.161 ' N ' ' O ' ' A' ' 2' ' ' ASP . 49.5 m -64.14 -92.14 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.801 0.334 . . . . 0.0 110.57 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -168.31 -145.7 4.67 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.81 ' O ' ' CB ' ' A' ' 7' ' ' GLN . 1.0 OUTLIER -151.52 87.55 1.38 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.763 0.316 . . . . 0.0 110.536 -179.955 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.905 ' H ' ' HD3' ' A' ' 8' ' ' PRO . 8.7 tp-100 122.33 42.6 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.592 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.905 ' HD3' ' H ' ' A' ' 7' ' ' GLN . 55.8 Cg_endo -73.96 125.63 10.02 Favored 'Trans proline' 0 C--N 1.305 -1.761 0 C-N-CA 122.763 2.309 . . . . 0.0 112.174 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 42.8 mtp180 -65.72 137.45 57.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.534 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.693 ' O ' ' N ' ' A' ' 12' ' ' GLY . . . 151.48 30.67 0.04 OUTLIER Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -59.33 56.57 0.01 OUTLIER Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.693 ' N ' ' O ' ' A' ' 10' ' ' GLY . . . -108.27 -62.8 0.55 Allowed Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.884 -0.887 . . . . 0.0 110.884 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.548 ' HD2' ' H ' ' A' ' 12' ' ' GLY . 61.3 Cg_exo -46.49 -49.63 11.6 Favored 'Trans proline' 0 C--N 1.305 -1.736 0 C-N-CA 122.827 2.351 . . . . 0.0 112.114 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 51.6 p -62.9 95.63 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.533 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.553 ' O ' HD12 ' A' ' 19' ' ' ILE . 2.6 p -109.76 -154.17 0.53 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.612 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.441 ' H ' ' HB2' ' A' ' 15' ' ' SER . 8.5 m -88.38 -9.48 52.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.56 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -79.94 -51.53 8.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.505 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.472 ' CD ' ' O ' ' A' ' 18' ' ' GLN . 22.2 tm0? -66.99 -24.26 66.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.494 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.553 HD12 ' O ' ' A' ' 15' ' ' SER . 93.9 mt -81.64 -55.45 7.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.535 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 53.0 ttp -53.06 -36.69 60.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.528 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.454 ' O ' HD13 ' A' ' 25' ' ' LEU . 34.4 mmtm -67.19 -46.21 74.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.516 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.434 HG22 ' O ' ' A' ' 22' ' ' THR . 32.0 m -72.31 -7.85 51.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.463 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -79.64 -53.97 4.13 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.537 ' O ' ' OE1' ' A' ' 28' ' ' GLN . . . -78.46 -9.07 59.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.762 0.315 . . . . 0.0 110.48 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.547 ' O ' ' C ' ' A' ' 26' ' ' LEU . 2.1 mp -86.86 -80.62 0.24 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.544 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.547 ' C ' ' O ' ' A' ' 25' ' ' LEU . 55.9 tp -26.97 -65.73 0.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.636 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.54 ' O ' HG12 ' A' ' 31' ' ' ILE . 6.3 tt -51.21 -57.93 7.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.541 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.568 ' O ' HD21 ' A' ' 45' ' ' LEU . 1.8 mp0 -47.42 -18.17 0.11 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.58 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.537 ' O ' ' N ' ' A' ' 31' ' ' ILE . . . -88.44 -72.67 1.28 Allowed Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 41.9 t80 -42.21 -18.93 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.828 0.347 . . . . 0.0 110.607 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.54 HG12 ' O ' ' A' ' 27' ' ' LEU . 31.0 mm -76.95 -69.08 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.595 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.599 ' HG2' ' O ' ' A' ' 32' ' ' GLN . 49.7 tt0 -79.03 30.14 0.21 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.548 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.412 ' H ' ' C ' ' A' ' 31' ' ' ILE . 67.4 t0 -113.08 -50.88 2.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.586 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.47 ' NH2' ' OD2' ' A' ' 71' ' ' ASP . 14.6 ptm180 -91.5 -26.49 18.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.588 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.456 ' CB ' HD22 ' A' ' 122' ' ' LEU . . . -99.76 -12.3 20.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.525 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -72.46 155.6 51.43 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 75.7 ttt180 -130.17 133.88 46.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.805 0.336 . . . . 0.0 110.531 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 64.9 mtt -61.16 -49.07 78.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.555 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -80.97 0.8 86.55 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -73.24 146.05 37.1 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.419 ' OE1' ' HA ' ' A' ' 41' ' ' GLU . 37.9 tp10 -124.7 152.49 43.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.789 0.328 . . . . 0.0 110.528 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 57.31 75.2 0.58 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.568 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -71.08 134.52 25.36 Favored 'Trans proline' 0 C--N 1.303 -1.819 0 C-N-CA 122.862 2.375 . . . . 0.0 112.131 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.416 ' HG3' HD11 ' A' ' 125' ' ' LEU . 71.4 mm-40 -77.3 -16.08 59.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.606 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.568 HD21 ' O ' ' A' ' 28' ' ' GLN . 18.5 tp -93.16 67.82 4.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.519 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.566 ' O ' ' HB2' ' A' ' 47' ' ' LEU . . . -87.92 127.53 35.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.535 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.566 ' HB2' ' O ' ' A' ' 46' ' ' ALA . 22.5 tp 156.89 -39.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.569 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 35.0 m-20 -122.45 67.75 28.59 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.575 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.452 ' HD3' ' C ' ' A' ' 47' ' ' LEU . 50.6 Cg_exo -49.33 -50.74 12.16 Favored 'Trans proline' 0 C--N 1.306 -1.708 0 C-N-CA 122.902 2.401 . . . . 0.0 112.145 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.46 ' O ' ' O ' ' A' ' 51' ' ' PRO . 19.0 m -139.54 140.89 26.61 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.683 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.46 ' O ' ' O ' ' A' ' 50' ' ' VAL . 40.8 Cg_exo -52.7 -158.93 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.723 0 C-N-CA 122.782 2.321 . . . . 0.0 112.072 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.448 ' CD ' ' C ' ' A' ' 52' ' ' GLN . 5.2 tm0? -149.64 -62.12 0.22 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.478 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 48.3 p-10 -114.23 158.01 21.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.533 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -78.46 -0.78 30.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.573 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 23.0 m -65.61 -39.52 91.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.564 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 12.5 t -83.74 -34.01 24.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.525 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -49.06 -55.11 13.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.552 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 30.0 ttpt -59.42 -48.51 81.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.587 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.639 HD23 ' O ' ' A' ' 59' ' ' LEU . 0.8 OUTLIER -61.2 -26.12 67.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.625 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.6 t -71.52 -35.31 70.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.527 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.09 -31.59 72.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.593 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 94.0 m -64.39 -37.75 88.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.532 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.471 HD12 ' N ' ' A' ' 63' ' ' LEU . 9.0 mp -75.41 -24.57 57.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.588 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 65.3 tttp -84.2 -36.81 22.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.595 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.425 ' O ' ' OE2' ' A' ' 69' ' ' GLU . 79.5 ttt180 -68.26 -44.88 74.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.591 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 18.8 tt -76.06 -35.2 28.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.586 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.424 ' O ' ' CB ' ' A' ' 71' ' ' ASP . . . -60.79 -45.5 96.34 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.418 ' O ' ' OD1' ' A' ' 68' ' ' ASP . 68.5 t0 -62.79 -34.39 77.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.804 0.335 . . . . 0.0 110.54 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.549 ' N ' ' OE1' ' A' ' 69' ' ' GLU . 0.3 OUTLIER -79.51 -58.69 3.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.527 -179.952 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 2.1 mt -55.01 -43.05 73.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.593 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.47 ' OD2' ' NH2' ' A' ' 34' ' ' ARG . 55.8 t0 -65.07 -8.72 17.66 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.581 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.5 t -96.39 7.06 47.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.6 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -93.0 111.36 22.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.576 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 98.1 mmm -68.23 -11.21 58.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.58 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -80.41 -67.23 0.79 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.571 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 54.9 tp -59.81 -40.27 87.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.585 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 7.2 tm0? -61.87 -37.86 86.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.579 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 76.1 ttt180 -68.6 -44.83 73.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.578 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.486 ' SD ' HG23 ' A' ' 182' ' ' THR . 74.0 mtp -54.55 -43.96 72.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.536 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.642 ' O ' HG12 ' A' ' 83' ' ' VAL . 84.0 mt -62.31 -23.7 32.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.519 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -86.09 -18.67 31.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.541 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -86.4 -15.48 40.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.585 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.874 HG13 ' O ' ' A' ' 83' ' ' VAL . 8.2 p -89.35 82.81 2.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.522 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.423 ' O ' ' O ' ' A' ' 83' ' ' VAL . 53.0 p-10 -40.62 162.43 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.552 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 72.8 p -119.63 119.99 35.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.585 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -148.9 -0.2 0.52 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.445 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.705 ' O ' HG12 ' A' ' 91' ' ' VAL . 45.8 t -175.83 88.6 0.29 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.493 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.495 ' O ' ' CB ' ' A' ' 92' ' ' PHE . 37.5 Cg_endo -69.27 -15.17 38.72 Favored 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.787 2.325 . . . . 0.0 112.116 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 16.8 ptt-85 -86.51 -33.95 20.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.573 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -79.55 -57.26 3.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.58 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.705 HG12 ' O ' ' A' ' 87' ' ' SER . 9.0 p -57.7 -51.1 74.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.501 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.651 ' N ' HG13 ' A' ' 91' ' ' VAL . 85.7 t80 -46.3 -52.06 13.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.471 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -67.97 -30.38 69.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.529 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 16.0 tpp180 -71.58 -57.95 3.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.503 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.623 HG23 ' N ' ' A' ' 96' ' ' ALA . 27.2 m -59.33 -48.04 88.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.567 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.623 ' N ' HG23 ' A' ' 95' ' ' VAL . . . -55.2 -27.61 47.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.581 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -81.93 -38.89 24.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.518 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 99' ' ' MET . 99.1 m-20 -63.1 -38.73 92.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.581 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . 0.53 ' HB2' HH21 ' A' ' 109' ' ' ARG . 64.7 mtt -38.36 -68.81 0.14 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.594 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.6 ' CD2' ' O ' ' A' ' 100' ' ' PHE . 16.3 p90 -111.29 57.48 0.63 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.568 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.2 t -74.72 -26.76 60.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.552 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.532 ' O ' ' C ' ' A' ' 103' ' ' GLY . 54.6 p-10 -155.64 -18.35 0.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.52 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.532 ' C ' ' O ' ' A' ' 102' ' ' ASP . . . -26.25 -80.71 0.01 OUTLIER Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . 0.606 ' O ' ' CG ' ' A' ' 105' ' ' PHE . 10.1 m-20 174.49 34.36 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.795 0.331 . . . . 0.0 110.597 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.606 ' CG ' ' O ' ' A' ' 104' ' ' ASN . 27.8 p90 42.67 29.0 0.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.616 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.52 ' O ' ' HB2' ' A' ' 107' ' ' TRP . 28.2 p30 -52.07 -110.46 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.559 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' TRP . . . . . 0.549 ' HE1' HD12 ' A' ' 148' ' ' LEU . 6.5 t90 174.67 -26.28 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.542 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.592 ' O ' HG12 ' A' ' 111' ' ' VAL . . . -50.14 -42.06 39.65 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.53 HH21 ' HB2' ' A' ' 99' ' ' MET . 0.0 OUTLIER -48.1 -26.2 1.76 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.847 0.356 . . . . 0.0 110.506 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.538 HG21 ' NE1' ' A' ' 107' ' ' TRP . 36.5 t -52.49 -57.93 3.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.553 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.592 HG12 ' O ' ' A' ' 108' ' ' GLY . 4.7 p -45.24 -46.79 3.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.578 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.58 ' N ' HG13 ' A' ' 111' ' ' VAL . . . -58.09 -34.98 70.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.525 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.664 ' O ' HD23 ' A' ' 113' ' ' LEU . 1.9 tt -57.0 -46.87 81.96 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.557 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -57.16 -44.05 83.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.495 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 93.1 t80 -68.01 -43.63 78.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.508 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.462 ' CE2' HG21 ' A' ' 95' ' ' VAL . 93.2 t80 -59.0 -41.79 88.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.58 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.499 ' O ' HG23 ' A' ' 121' ' ' VAL . . . -71.03 -32.53 69.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.56 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 5.3 t -48.6 -44.43 37.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.581 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.818 ' O ' ' CB ' ' A' ' 123' ' ' LYS . 57.8 mmtt -59.63 -43.71 93.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.497 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 52.6 mt -68.02 -31.57 71.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.544 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.726 HG13 HG23 ' A' ' 133' ' ' ILE . 55.8 t -76.84 -53.5 14.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.602 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.456 HD22 ' CB ' ' A' ' 35' ' ' ALA . 70.7 mt -72.89 -41.0 65.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.493 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.818 ' CB ' ' O ' ' A' ' 119' ' ' LYS . 65.4 tttm -58.01 -41.25 82.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.571 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.531 ' O ' ' OG1' ' A' ' 127' ' ' THR . . . -75.44 -22.23 57.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.504 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.42 HD12 ' HA ' ' A' ' 125' ' ' LEU . 37.5 tp -62.9 -32.4 73.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.548 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 1.6 t -82.9 -36.02 25.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.55 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.751 ' O ' ' HB2' ' A' ' 128' ' ' LYS . 33.2 p -53.21 -19.15 2.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.59 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.751 ' HB2' ' O ' ' A' ' 127' ' ' THR . 66.3 mttm 87.62 44.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.584 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.482 ' CG2' ' OG1' ' A' ' 127' ' ' THR . 0.5 OUTLIER -147.74 89.53 5.34 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.601 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . 0.403 ' HA ' HG12 ' A' ' 133' ' ' ILE . 43.4 Cg_endo -71.6 -13.73 30.09 Favored 'Trans proline' 0 C--N 1.304 -1.774 0 C-N-CA 122.713 2.275 . . . . 0.0 112.006 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -65.06 -40.68 95.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.555 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 8.6 mp -61.57 -34.08 74.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.472 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.726 HG23 HG13 ' A' ' 121' ' ' VAL . 21.2 mm -56.81 -50.16 76.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.489 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 78.9 mtp85 -69.09 -34.81 75.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.543 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 7.2 m -67.2 -31.89 72.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.514 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.437 HG21 ' CG2' ' A' ' 121' ' ' VAL . 39.2 mt -69.9 -58.78 4.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.512 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . 0.431 ' HG2' HE22 ' A' ' 28' ' ' GLN . 12.2 mtp -46.45 -25.53 0.68 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.52 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -68.69 -40.45 85.55 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' TRP . . . . . 0.518 ' CD1' ' N ' ' A' ' 139' ' ' TRP . 11.9 m0 -66.36 -24.42 66.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.756 0.313 . . . . 0.0 110.508 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' THR . . . . . 0.468 ' OG1' ' N ' ' A' ' 141' ' ' LEU . 23.4 p -75.51 -65.93 0.84 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.526 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.468 ' N ' ' OG1' ' A' ' 140' ' ' THR . 53.4 mt -51.71 -33.71 35.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.48 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -65.65 -51.12 61.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.577 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . 0.523 ' O ' ' HB2' ' A' ' 147' ' ' ARG . 39.1 t80 -66.86 -38.81 87.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.568 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.546 HD12 ' HB2' ' A' ' 148' ' ' LEU . 1.4 tp -71.12 -35.45 71.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.535 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 59.1 ttp180 -83.06 -10.66 58.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.549 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -111.98 -4.66 14.46 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.569 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . 1.151 ' O ' ' N ' ' A' ' 149' ' ' LEU . 0.7 OUTLIER -142.18 -110.89 0.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.572 -179.902 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . 0.818 ' H ' HD22 ' A' ' 148' ' ' LEU . 1.0 OUTLIER -15.4 -27.83 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.561 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . 1.151 ' N ' ' O ' ' A' ' 147' ' ' ARG . 42.2 tp -49.02 -56.37 9.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.567 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -63.8 -50.67 59.64 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 151' ' ' TRP . . . . . . . . . . . . . 95.5 m95 -66.29 -55.82 14.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.784 0.326 . . . . 0.0 110.559 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 152' ' ' ILE . . . . . 0.697 ' N ' ' O ' ' A' ' 148' ' ' LEU . 9.5 tt -51.37 -34.21 14.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.581 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 55.8 tt0 -67.48 -31.2 71.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.594 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -89.21 -4.54 58.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.574 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -97.4 0.63 48.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.548 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 83.81 24.71 48.49 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 89.71 -160.36 28.82 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . 65.0 m95 -73.85 -5.61 42.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.76 0.315 . . . . 0.0 110.615 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -60.98 -42.36 98.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.569 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -54.4 -32.19 51.89 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . 0.558 HD23 ' O ' ' A' ' 161' ' ' LEU . 2.0 tt -62.95 -53.99 45.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.818 0.342 . . . . 0.0 110.58 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 56.3 tp -67.06 -31.05 71.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.606 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 5.3 t -66.79 -26.47 66.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.475 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 94.3 t80 -76.39 -42.78 43.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.553 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -71.64 47.82 0.14 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.518 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -130.58 38.6 1.92 Allowed Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 167' ' ' THR . . . . . 1.069 ' OG1' ' HD2' ' A' ' 168' ' ' PRO . 0.6 OUTLIER -108.04 -179.33 0.68 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 120.915 0.388 . . . . 0.0 110.611 179.953 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 168' ' ' PRO . . . . . 1.069 ' HD2' ' OG1' ' A' ' 167' ' ' THR . 56.1 Cg_endo -74.41 -146.71 0.03 OUTLIER 'Trans proline' 0 C--N 1.304 -1.768 0 C-N-CA 122.891 2.394 . . . . 0.0 112.073 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 169' ' ' THR . . . . . 0.6 ' C ' ' O ' ' A' ' 168' ' ' PRO . 32.9 p -21.65 100.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.492 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 170' ' ' TRP . . . . . 0.684 ' O ' HG22 ' A' ' 173' ' ' VAL . 29.5 p90 -64.49 -18.46 64.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.613 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 171' ' ' GLN . . . . . 0.547 ' NE2' ' OG1' ' A' ' 172' ' ' THR . 5.4 pp0? -47.31 -14.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.524 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 172' ' ' THR . . . . . 0.547 ' OG1' ' NE2' ' A' ' 171' ' ' GLN . 99.4 m -87.13 -29.46 21.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.504 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 173' ' ' VAL . . . . . 0.684 HG22 ' O ' ' A' ' 170' ' ' TRP . 2.0 m -72.18 -45.61 61.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.529 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 174' ' ' THR . . . . . 0.566 ' N ' ' CG2' ' A' ' 173' ' ' VAL . 25.1 m -64.59 -24.87 67.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.541 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 175' ' ' ILE . . . . . 0.518 HG22 ' O ' ' A' ' 172' ' ' THR . 1.8 tt -85.79 -7.61 10.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.544 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 176' ' ' PHE . . . . . 0.483 ' O ' HG12 ' A' ' 180' ' ' VAL . 62.7 t80 -94.52 -60.14 1.78 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.603 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 3.2 m -62.07 -16.75 16.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.516 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 178' ' ' ALA . . . . . 0.623 ' O ' ' OG1' ' A' ' 182' ' ' THR . . . -95.58 -45.86 6.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.567 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -62.36 -26.16 67.64 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 180' ' ' VAL . . . . . 0.699 HG13 ' N ' ' A' ' 181' ' ' LEU . 13.7 p -86.25 -51.65 12.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.783 0.325 . . . . 0.0 110.601 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . 0.699 ' N ' HG13 ' A' ' 180' ' ' VAL . 40.6 tp -69.33 -47.93 62.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.573 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 182' ' ' THR . . . . . 0.623 ' OG1' ' O ' ' A' ' 178' ' ' ALA . 25.8 m -50.54 -51.32 48.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.551 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -47.45 -45.68 26.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.561 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 184' ' ' SER . . . . . . . . . . . . . 27.5 t -54.47 -37.9 65.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.559 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 61.2 mt -77.55 -21.83 51.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.556 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 21.8 m -73.2 -44.87 59.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.539 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 187' ' ' ILE . . . . . 0.638 HG23 ' N ' ' A' ' 188' ' ' TRP . 12.5 tt -73.76 -51.46 24.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.634 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 188' ' ' TRP . . . . . 0.638 ' N ' HG23 ' A' ' 187' ' ' ILE . 0.1 OUTLIER -30.81 -56.94 0.22 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.523 179.94 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 8.0 mmtt -175.71 128.24 0.24 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.538 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 190' ' ' LYS . . . . . . . . . . . . . 14.8 ptmt -109.81 89.56 3.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.679 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 191' ' ' MET . . . . . . . . . . . . . 83.8 mtp -128.64 136.55 50.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.539 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.804 0 CA-C-O 117.996 -1.447 . . . . 0.0 110.941 179.977 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 130' ' ' CYS . . . . . 0.492 ' SG ' ' N ' ' B' ' 131' ' ' GLU . 14.5 t . . . . . 0 N--CA 1.491 1.615 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 131' ' ' GLU . . . . . 0.492 ' N ' ' SG ' ' B' ' 130' ' ' CYS . 71.8 mm-40 -71.98 -165.56 0.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.505 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 132' ' ' ALA . . . . . 0.434 ' O ' ' O ' ' B' ' 131' ' ' GLU . . . 51.95 171.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.553 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 83.8 mt -78.35 -4.43 48.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.621 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 134' ' ' LYS . . . . . . . . . . . . . 9.0 mtpm? 45.91 -107.37 0.14 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.554 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 135' ' ' LYS . . . . . 0.415 ' O ' ' HB3' ' B' ' 136' ' ' ALA . 30.3 mmtp -93.25 -171.25 2.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.552 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 136' ' ' ALA . . . . . 0.415 ' HB3' ' O ' ' B' ' 135' ' ' LYS . . . 64.29 51.56 2.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.607 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 137' ' ' LEU . . . . . 0.715 HD22 ' N ' ' B' ' 137' ' ' LEU . 3.4 mm? -74.24 -110.54 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.598 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 138' ' ' ARG . . . . . . . . . . . . . 65.8 ttt180 -64.46 -15.76 61.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.511 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 139' ' ' ARG . . . . . . . . . . . . . 60.5 ttp180 -63.39 -41.39 98.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.595 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 140' ' ' HIS . . . . . 0.614 ' O ' ' N ' ' B' ' 143' ' ' LEU . 1.1 t-160 -80.86 -64.23 1.24 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.539 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 141' ' ' ARG . . . . . 0.454 ' C ' ' O ' ' B' ' 140' ' ' HIS . 70.2 ttt180 -35.24 -32.32 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.525 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 142' ' ' PHE . . . . . 0.503 ' N ' ' O ' ' B' ' 140' ' ' HIS . 84.1 t80 -90.18 -33.13 16.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.608 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 143' ' ' LEU . . . . . 0.614 ' N ' ' O ' ' B' ' 140' ' ' HIS . 29.7 tp -55.31 -35.57 65.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.613 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 144' ' ' TRP . . . . . 0.484 ' O ' ' C ' ' B' ' 145' ' ' GLN . 38.0 t-105 -84.82 -57.38 3.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.53 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 145' ' ' GLN . . . . . 0.484 ' C ' ' O ' ' B' ' 144' ' ' TRP . 70.9 mt-30 -32.94 -69.21 0.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.489 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 146' ' ' ARG . . . . . . . . . . . . . 36.4 ttm180 40.25 54.61 2.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.55 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 147' ' ' ARG . . . . . . . . . . . . . 93.8 mtt180 -65.05 -38.87 92.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.582 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 148' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -74.11 115.05 13.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.593 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 149' ' ' ARG . . . . . 0.436 ' HG2' ' O ' ' B' ' 149' ' ' ARG . 74.0 ttt180 50.14 69.45 0.61 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.601 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 150' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.538 -179.976 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.498 ' HG2' ' N ' ' A' ' 2' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.365 -0.605 . . . . 0.0 109.365 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.916 ' OD1' ' N ' ' A' ' 3' ' ' GLY . 56.6 p-10 -51.49 -59.08 4.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.509 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.916 ' N ' ' OD1' ' A' ' 2' ' ' ASP . . . 91.18 -66.67 2.4 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 20.7 m -160.51 -45.49 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.738 0.304 . . . . 0.0 110.55 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -172.88 -131.98 1.45 Allowed Glycine 0 CA--C 1.526 0.762 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.81 ' O ' ' CB ' ' A' ' 7' ' ' GLN . 0.2 OUTLIER -140.75 94.16 2.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.758 0.313 . . . . 0.0 110.586 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.923 ' H ' ' CD ' ' A' ' 8' ' ' PRO . 4.5 tp-100 117.43 30.33 0.0 OUTLIER Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.596 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.923 ' CD ' ' H ' ' A' ' 7' ' ' GLN . 43.4 Cg_endo -71.52 121.57 7.83 Favored 'Trans proline' 0 C--N 1.303 -1.819 0 C-N-CA 122.778 2.319 . . . . 0.0 111.951 179.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 23.6 mtp180 -88.1 147.65 24.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.685 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.496 ' O ' ' C ' ' A' ' 11' ' ' GLY . . . -155.78 116.46 0.72 Allowed Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.889 -0.885 . . . . 0.0 110.889 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.496 ' C ' ' O ' ' A' ' 10' ' ' GLY . . . -32.3 128.25 0.27 Allowed Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.605 ' N ' ' HD3' ' A' ' 13' ' ' PRO . . . 82.68 50.06 4.86 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 1.077 ' O ' ' N ' ' A' ' 15' ' ' SER . 54.3 Cg_exo -47.21 -60.48 0.86 Allowed 'Trans proline' 0 C--N 1.305 -1.742 0 C-N-CA 122.705 2.27 . . . . 0.0 112.088 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.683 ' C ' ' O ' ' A' ' 13' ' ' PRO . 6.2 p 0.82 48.23 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.536 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 1.077 ' N ' ' O ' ' A' ' 13' ' ' PRO . 10.2 p -36.9 87.31 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.598 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.631 ' N ' ' O ' ' A' ' 14' ' ' THR . 58.2 m -98.74 -14.58 19.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.569 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -93.03 -50.55 5.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.572 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.426 ' NE2' ' OG1' ' A' ' 22' ' ' THR . 15.3 tm0? -55.82 -32.84 63.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.647 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.84 HD12 ' O ' ' A' ' 15' ' ' SER . 88.1 mt -75.06 -51.13 22.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.645 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 54.8 ttp -57.39 -36.22 71.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.709 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.441 ' O ' HD12 ' A' ' 25' ' ' LEU . 25.0 mtpp -68.11 -43.78 77.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.708 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.426 ' OG1' ' NE2' ' A' ' 18' ' ' GLN . 46.8 m -72.78 -13.64 61.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.635 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -74.85 -54.14 6.0 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.05 -10.89 59.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.797 0.332 . . . . 0.0 110.644 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.532 ' O ' ' C ' ' A' ' 26' ' ' LEU . 36.9 mt -86.31 -78.7 0.27 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.598 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.532 ' C ' ' O ' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -28.69 -64.69 0.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.663 179.933 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.405 ' C ' ' N ' ' A' ' 29' ' ' GLY . 6.0 tp -52.34 -56.72 12.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.641 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.48 ' HG2' HD21 ' A' ' 45' ' ' LEU . 0.9 OUTLIER -48.49 -18.1 0.21 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.579 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.531 ' O ' ' N ' ' A' ' 31' ' ' ILE . . . -88.63 -72.29 1.27 Allowed Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 41.9 t80 -42.51 -18.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.789 0.328 . . . . 0.0 110.532 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.531 ' N ' ' O ' ' A' ' 29' ' ' GLY . 87.1 mt -76.94 -68.95 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.613 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.555 ' O ' ' HG3' ' A' ' 32' ' ' GLN . 55.4 tp60 -79.06 29.8 0.21 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.533 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.412 ' H ' ' C ' ' A' ' 31' ' ' ILE . 59.3 t0 -112.76 -51.17 2.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.529 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 -91.21 -27.02 18.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.536 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.468 ' CB ' HD22 ' A' ' 122' ' ' LEU . . . -98.89 -13.05 20.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.576 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -94.96 118.28 5.81 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.845 -0.902 . . . . 0.0 110.845 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 95.8 mtt-85 -75.34 -119.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.784 0.326 . . . . 0.0 110.504 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 53.3 ttp -62.43 -42.74 99.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.515 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 84.86 173.23 49.77 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 74.08 9.78 80.57 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.946 -0.861 . . . . 0.0 110.946 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 31.5 tp10 -111.82 56.16 0.66 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.749 0.309 . . . . 0.0 110.551 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.62 ' N ' ' HD3' ' A' ' 43' ' ' PRO . . . 61.62 50.81 1.91 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.563 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.62 ' HD3' ' N ' ' A' ' 42' ' ' ALA . 50.5 Cg_exo -48.95 153.93 3.56 Favored 'Trans proline' 0 C--N 1.305 -1.748 0 C-N-CA 122.848 2.365 . . . . 0.0 112.074 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 51.3 mp0 -91.83 -13.01 32.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.615 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.48 HD21 ' HG2' ' A' ' 28' ' ' GLN . 43.3 tp -97.5 61.23 1.64 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.596 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.527 ' O ' ' HB2' ' A' ' 47' ' ' LEU . . . -66.83 143.89 56.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.535 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.657 ' CG ' ' H ' ' A' ' 48' ' ' ASP . 3.3 tp 174.86 -149.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.51 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.657 ' H ' ' CG ' ' A' ' 47' ' ' LEU . 10.9 p-10 -105.0 83.25 0.79 Allowed Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.469 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.496 ' HD3' ' O ' ' A' ' 47' ' ' LEU . 33.4 Cg_endo -67.7 105.9 1.19 Allowed 'Trans proline' 0 C--N 1.306 -1.701 0 C-N-CA 122.726 2.284 . . . . 0.0 112.019 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 4.6 m -124.4 91.46 49.49 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.577 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -65.67 1.0 2.47 Favored 'Trans proline' 0 C--N 1.306 -1.702 0 C-N-CA 122.75 2.3 . . . . 0.0 112.087 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.555 ' O ' ' O ' ' A' ' 53' ' ' ASP . 53.2 mt-30 -70.57 -174.78 0.93 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.488 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.555 ' O ' ' O ' ' A' ' 52' ' ' GLN . 68.2 t0 44.66 105.09 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.579 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -79.66 1.77 25.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.603 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 44.0 m -62.31 -38.92 91.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.544 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 76.9 p -83.98 -34.17 24.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.596 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -49.19 -55.26 13.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.595 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -59.31 -48.51 81.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.61 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.619 HD23 ' O ' ' A' ' 59' ' ' LEU . 0.8 OUTLIER -61.26 -26.07 67.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.605 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.5 t -71.57 -35.27 70.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.508 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 76.1 mt-10 -64.09 -31.58 72.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.539 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.43 ' O ' HG22 ' A' ' 66' ' ' ILE . 90.8 m -64.47 -37.67 88.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.498 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.45 HD12 ' N ' ' A' ' 63' ' ' LEU . 10.1 mp -75.41 -24.61 57.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.577 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -84.32 -36.6 22.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.626 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.428 ' O ' ' OE2' ' A' ' 69' ' ' GLU . 99.7 mtt180 -68.52 -44.5 74.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.556 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.43 HG22 ' O ' ' A' ' 62' ' ' CYS . 20.6 tt -76.42 -35.07 26.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.638 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.425 ' O ' ' CB ' ' A' ' 71' ' ' ASP . . . -61.02 -45.41 96.65 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -62.68 -34.37 76.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.782 0.325 . . . . 0.0 110.59 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.549 ' N ' ' OE1' ' A' ' 69' ' ' GLU . 0.3 OUTLIER -79.63 -58.45 3.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.596 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.16 -43.11 73.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.514 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.425 ' CB ' ' O ' ' A' ' 67' ' ' GLY . 38.7 t70 -64.97 -8.83 17.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.561 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.9 t -96.38 7.05 47.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.525 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -92.93 111.44 23.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.578 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.954 ' SD ' ' OE2' ' B' ' 131' ' ' GLU . 41.8 ttp -68.33 -11.12 59.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.513 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -80.44 -67.21 0.79 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.549 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 7.2 tp -59.82 -40.28 87.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.598 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 8.3 tm0? -61.85 -37.9 86.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.552 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 74.2 ttt180 -68.49 -44.9 73.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.587 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.486 ' SD ' HG23 ' A' ' 182' ' ' THR . 74.1 mtp -54.56 -43.8 72.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.588 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.641 ' O ' HG12 ' A' ' 83' ' ' VAL . 84.4 mt -62.4 -23.73 33.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.531 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -86.06 -18.64 31.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.619 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -86.6 -15.15 40.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.569 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.885 HG13 ' O ' ' A' ' 83' ' ' VAL . 7.3 p -89.66 82.68 2.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.608 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.411 ' O ' ' O ' ' A' ' 83' ' ' VAL . 55.4 p-10 -40.73 161.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.524 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 67.3 p -119.23 119.65 34.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.549 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -148.4 -0.15 0.57 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.472 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.676 ' O ' HG12 ' A' ' 91' ' ' VAL . 37.1 t -175.84 87.69 0.29 Allowed Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.545 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.497 ' O ' ' CB ' ' A' ' 92' ' ' PHE . 36.3 Cg_endo -68.28 -15.4 42.39 Favored 'Trans proline' 0 C--N 1.305 -1.76 0 C-N-CA 122.829 2.353 . . . . 0.0 112.065 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 33.6 ptt-85 -85.66 -35.6 20.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.532 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -78.13 -58.38 3.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.567 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.676 HG12 ' O ' ' A' ' 87' ' ' SER . 10.2 p -56.28 -51.71 60.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.538 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.667 ' N ' HG13 ' A' ' 91' ' ' VAL . 85.9 t80 -45.84 -52.43 11.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.503 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -67.74 -30.61 70.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.474 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 15.9 tpp180 -71.33 -58.0 3.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.582 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.62 HG23 ' N ' ' A' ' 96' ' ' ALA . 28.4 m -59.36 -48.05 88.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.538 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.62 ' N ' HG23 ' A' ' 95' ' ' VAL . . . -55.13 -27.72 47.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.529 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -81.76 -38.89 24.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.571 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.41 ' O ' ' C ' ' A' ' 99' ' ' MET . 99.7 m-20 -63.22 -38.64 91.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.537 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . 0.533 ' HB2' HH21 ' A' ' 109' ' ' ARG . 63.9 mtt -38.29 -68.92 0.14 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.554 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.601 ' CD2' ' O ' ' A' ' 100' ' ' PHE . 16.5 p90 -111.3 57.51 0.63 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.531 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.4 t -74.64 -26.83 60.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.533 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.552 ' O ' ' C ' ' A' ' 103' ' ' GLY . 55.7 p-10 -155.59 -18.4 0.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.59 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.552 ' C ' ' O ' ' A' ' 102' ' ' ASP . . . -26.3 -80.72 0.01 OUTLIER Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . 0.608 ' O ' ' CG ' ' A' ' 105' ' ' PHE . 10.6 m-20 174.5 34.44 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.841 0.353 . . . . 0.0 110.522 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.608 ' CG ' ' O ' ' A' ' 104' ' ' ASN . 30.7 p90 42.61 29.19 0.15 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.541 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.519 ' CG ' ' H ' ' A' ' 107' ' ' TRP . 28.5 p30 -52.16 -110.43 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.541 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' TRP . . . . . 0.546 ' NE1' HG21 ' A' ' 110' ' ' VAL . 6.4 t90 174.53 -26.22 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.522 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.596 ' O ' HG12 ' A' ' 111' ' ' VAL . . . -50.06 -42.16 39.13 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.533 HH21 ' HB2' ' A' ' 99' ' ' MET . 0.0 OUTLIER -48.14 -26.1 1.74 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.764 0.316 . . . . 0.0 110.494 -179.921 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.546 HG21 ' NE1' ' A' ' 107' ' ' TRP . 37.4 t -52.63 -57.84 3.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.569 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.596 HG12 ' O ' ' A' ' 108' ' ' GLY . 4.8 p -45.3 -46.78 3.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.589 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.584 ' N ' HG13 ' A' ' 111' ' ' VAL . . . -58.13 -34.87 70.71 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.513 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.659 ' O ' HD23 ' A' ' 113' ' ' LEU . 1.8 tt -56.95 -46.88 81.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.523 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -57.25 -43.99 83.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.554 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 91.9 t80 -68.0 -43.62 78.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.446 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.451 ' CE2' HG21 ' A' ' 95' ' ' VAL . 92.9 t80 -59.04 -41.86 88.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.527 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.489 ' O ' HG23 ' A' ' 121' ' ' VAL . . . -70.98 -32.56 69.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.558 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 4.4 t -48.61 -44.34 36.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.554 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.821 ' O ' ' CB ' ' A' ' 123' ' ' LYS . 57.8 mmtt -59.71 -43.67 94.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.538 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 56.4 mt -68.18 -31.28 70.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.535 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.724 HG13 HG23 ' A' ' 133' ' ' ILE . 61.2 t -77.02 -53.56 14.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.572 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.468 HD22 ' CB ' ' A' ' 35' ' ' ALA . 69.4 mt -72.83 -40.98 65.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.596 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.821 ' CB ' ' O ' ' A' ' 119' ' ' LYS . 65.5 tttm -58.16 -41.04 82.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.535 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.52 ' O ' ' OG1' ' A' ' 127' ' ' THR . . . -75.68 -21.89 57.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.534 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 40.3 tp -63.0 -32.29 73.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.598 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . 0.435 ' SG ' ' N ' ' A' ' 127' ' ' THR . 17.6 p -83.21 -35.72 25.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.587 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.758 ' O ' ' HB2' ' A' ' 128' ' ' LYS . 35.2 p -53.63 -19.11 3.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.559 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.758 ' HB2' ' O ' ' A' ' 127' ' ' THR . 60.7 mttp 87.61 44.92 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.62 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.498 ' CG2' ' OG1' ' A' ' 127' ' ' THR . 0.2 OUTLIER -147.92 88.79 5.45 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.614 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -70.68 -14.22 33.01 Favored 'Trans proline' 0 C--N 1.305 -1.747 0 C-N-CA 122.737 2.291 . . . . 0.0 112.07 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -64.63 -41.16 96.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.517 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 8.5 mp -60.99 -34.24 74.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.517 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.724 HG23 HG13 ' A' ' 121' ' ' VAL . 21.0 mm -56.74 -50.08 75.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.471 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 17.4 mmm180 -69.22 -34.85 75.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.423 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 7.4 m -67.07 -31.92 72.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.497 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.425 HG21 ' CG2' ' A' ' 121' ' ' VAL . 44.8 mt -69.81 -58.89 4.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.492 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 86.3 mtp -46.46 -25.49 0.68 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.539 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -68.57 -40.56 86.02 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' TRP . . . . . 0.517 ' CD1' ' N ' ' A' ' 139' ' ' TRP . 12.2 m0 -66.34 -24.43 66.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.841 0.353 . . . . 0.0 110.501 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' THR . . . . . 0.504 ' OG1' ' N ' ' A' ' 141' ' ' LEU . 15.4 p -75.49 -65.86 0.84 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.521 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.504 ' N ' ' OG1' ' A' ' 140' ' ' THR . 54.2 mt -51.72 -33.65 35.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.514 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -65.75 -51.01 62.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.613 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . 0.527 ' O ' ' HB2' ' A' ' 147' ' ' ARG . 39.8 t80 -66.85 -38.88 87.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.552 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.602 HD12 ' HB2' ' A' ' 148' ' ' LEU . 2.4 tp -71.1 -35.44 71.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.523 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 58.9 ttp180 -83.08 -10.63 58.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.563 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -112.05 -4.57 14.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.604 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . 1.152 ' O ' ' N ' ' A' ' 149' ' ' LEU . 0.6 OUTLIER -142.28 -110.91 0.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.527 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . 0.819 ' H ' HD22 ' A' ' 148' ' ' LEU . 1.0 OUTLIER -15.31 -27.8 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.575 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . 1.152 ' N ' ' O ' ' A' ' 147' ' ' ARG . 59.2 tp -49.15 -56.2 9.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.638 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -63.97 -50.62 59.56 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 151' ' ' TRP . . . . . . . . . . . . . 99.6 m95 -66.25 -55.78 14.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.786 0.327 . . . . 0.0 110.613 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 152' ' ' ILE . . . . . 0.697 ' N ' ' O ' ' A' ' 148' ' ' LEU . 10.5 tt -51.35 -34.39 15.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.532 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . 0.683 ' NE2' HD11 ' A' ' 149' ' ' LEU . 50.4 mt-30 -67.39 -31.27 71.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.596 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -89.08 -4.47 58.33 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.592 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -97.55 0.82 48.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.609 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 83.73 24.63 49.07 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 89.85 -160.32 28.61 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.949 -0.861 . . . . 0.0 110.949 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 158' ' ' TRP . . . . . 0.414 ' CD1' HD11 ' A' ' 152' ' ' ILE . 53.6 m95 -73.94 -5.71 42.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.781 0.324 . . . . 0.0 110.556 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 67.5 t0 -60.88 -42.37 97.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.615 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -54.5 -32.15 52.58 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . 0.581 HD23 ' O ' ' A' ' 161' ' ' LEU . 2.0 tt -62.89 -54.14 43.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.818 0.342 . . . . 0.0 110.538 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 53.0 tp -67.0 -31.02 71.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.607 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 5.3 t -66.83 -26.28 66.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.483 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 93.6 t80 -76.66 -42.56 41.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.567 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -71.67 47.87 0.14 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.611 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -130.88 39.08 1.84 Allowed Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 167' ' ' THR . . . . . 1.041 ' OG1' ' HD2' ' A' ' 168' ' ' PRO . 0.6 OUTLIER -108.48 -179.81 0.74 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 120.909 0.385 . . . . 0.0 110.558 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 168' ' ' PRO . . . . . 1.041 ' HD2' ' OG1' ' A' ' 167' ' ' THR . 52.8 Cg_endo -73.48 -145.83 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.739 0 C-N-CA 122.837 2.358 . . . . 0.0 112.133 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 169' ' ' THR . . . . . 0.59 ' C ' ' O ' ' A' ' 168' ' ' PRO . 7.3 p -22.88 101.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.61 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 170' ' ' TRP . . . . . 0.691 ' O ' HG22 ' A' ' 173' ' ' VAL . 36.2 p90 -64.65 -18.54 65.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.557 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 171' ' ' GLN . . . . . 0.524 ' NE2' ' OG1' ' A' ' 172' ' ' THR . 5.4 pp0? -47.16 -14.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.604 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 172' ' ' THR . . . . . 0.526 ' O ' HG22 ' A' ' 175' ' ' ILE . 5.2 m -86.78 -29.67 22.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.611 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 173' ' ' VAL . . . . . 0.691 HG22 ' O ' ' A' ' 170' ' ' TRP . 2.0 m -72.02 -45.6 62.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.577 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 174' ' ' THR . . . . . 0.562 ' N ' ' CG2' ' A' ' 173' ' ' VAL . 25.5 m -64.67 -24.86 67.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.544 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 175' ' ' ILE . . . . . 0.526 HG22 ' O ' ' A' ' 172' ' ' THR . 1.7 tt -85.79 -7.47 10.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.552 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 176' ' ' PHE . . . . . 0.486 ' O ' HG12 ' A' ' 180' ' ' VAL . 64.0 t80 -94.63 -59.99 1.81 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.624 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 3.2 m -62.21 -16.61 16.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.612 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 178' ' ' ALA . . . . . 0.628 ' O ' ' OG1' ' A' ' 182' ' ' THR . . . -95.54 -45.96 6.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.583 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -62.33 -26.11 67.53 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 180' ' ' VAL . . . . . 0.696 HG13 ' N ' ' A' ' 181' ' ' LEU . 13.8 p -86.3 -51.7 12.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.764 0.316 . . . . 0.0 110.515 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . 0.696 ' N ' HG13 ' A' ' 180' ' ' VAL . 43.9 tp -69.4 -47.88 62.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.592 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 182' ' ' THR . . . . . 0.628 ' OG1' ' O ' ' A' ' 178' ' ' ALA . 25.2 m -50.54 -51.38 48.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.581 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -47.35 -45.7 25.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.574 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 184' ' ' SER . . . . . . . . . . . . . 27.2 t -54.44 -37.89 65.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.587 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 61.1 mt -77.52 -21.81 52.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.609 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 20.8 m -73.24 -44.81 58.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.612 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 187' ' ' ILE . . . . . 0.637 HG23 ' N ' ' A' ' 188' ' ' TRP . 12.2 tt -73.7 -51.54 24.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.604 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 188' ' ' TRP . . . . . 0.637 ' N ' HG23 ' A' ' 187' ' ' ILE . 0.2 OUTLIER -30.87 -56.91 0.22 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.54 -179.952 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 7.9 mmtt -175.7 128.27 0.25 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.567 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 190' ' ' LYS . . . . . . . . . . . . . 34.9 pttt -109.81 89.47 3.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.625 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 191' ' ' MET . . . . . . . . . . . . . 83.5 mtp -128.54 136.59 50.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.578 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.726 0 CA-C-O 117.988 -1.451 . . . . 0.0 110.922 -179.985 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 130' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 131' ' ' GLU . . . . . 0.954 ' OE2' ' SD ' ' A' ' 74' ' ' MET . 90.6 mt-10 -57.83 -56.48 21.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.571 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 132' ' ' ALA . . . . . 0.58 ' O ' ' N ' ' B' ' 134' ' ' LYS . . . -156.37 -90.04 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.585 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 133' ' ' LEU . . . . . 0.698 ' N ' HD12 ' B' ' 133' ' ' LEU . 6.9 mp 51.11 -82.14 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.552 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 134' ' ' LYS . . . . . 0.58 ' N ' ' O ' ' B' ' 132' ' ' ALA . 36.5 ttmt -55.28 -49.28 72.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.58 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 135' ' ' LYS . . . . . 0.532 ' NZ ' ' O ' ' B' ' 131' ' ' GLU . 22.5 pttp -96.45 152.83 18.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.611 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 136' ' ' ALA . . . . . 0.423 ' C ' HD12 ' B' ' 137' ' ' LEU . . . -147.85 -146.19 0.19 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.523 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 137' ' ' LEU . . . . . 0.61 ' N ' HD12 ' B' ' 137' ' ' LEU . 9.6 mp -96.04 124.58 40.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.577 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 138' ' ' ARG . . . . . 0.537 ' O ' ' HB2' ' B' ' 142' ' ' PHE . 84.7 mtp180 -85.23 -14.02 48.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.544 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 139' ' ' ARG . . . . . 0.447 ' O ' ' HB2' ' B' ' 143' ' ' LEU . 79.7 mtp180 -61.32 -42.36 98.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.563 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 140' ' ' HIS . . . . . 0.739 ' O ' ' N ' ' B' ' 143' ' ' LEU . 63.5 t-80 -81.29 -67.52 0.77 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.444 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 141' ' ' ARG . . . . . 0.461 ' C ' ' O ' ' B' ' 140' ' ' HIS . 71.1 ttt180 -33.63 -29.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.427 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 142' ' ' PHE . . . . . 0.602 ' N ' ' O ' ' B' ' 140' ' ' HIS . 14.7 m-85 -94.45 -27.48 15.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.519 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 143' ' ' LEU . . . . . 0.866 ' O ' HD23 ' B' ' 143' ' ' LEU . 2.1 tt -62.46 -30.76 71.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.457 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 144' ' ' TRP . . . . . 0.427 ' O ' ' C ' ' B' ' 145' ' ' GLN . 65.6 t-105 -90.66 -52.5 4.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.577 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 145' ' ' GLN . . . . . 0.553 ' O ' ' O ' ' B' ' 146' ' ' ARG . 49.9 tt0 -36.55 -67.49 0.17 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.543 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 146' ' ' ARG . . . . . 0.553 ' O ' ' O ' ' B' ' 145' ' ' GLN . 89.3 mtm180 34.78 -160.11 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.604 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 147' ' ' ARG . . . . . . . . . . . . . 12.9 tpp180 -73.6 132.32 42.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.617 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 148' ' ' GLN . . . . . . . . . . . . . 87.4 mt-30 -50.53 141.94 11.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.535 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 149' ' ' ARG . . . . . 0.417 ' O ' ' O ' ' B' ' 150' ' ' ALA . 70.3 ttt180 52.34 74.94 0.25 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.611 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 150' ' ' ALA . . . . . 0.417 ' O ' ' O ' ' B' ' 149' ' ' ARG . . . . . . . . 0 C--O 1.22 -0.492 0 CA-C-O 118.025 -0.988 . . . . 0.0 110.542 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.3 ptt? . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 1.038 ' OD1' ' N ' ' A' ' 3' ' ' GLY . 52.2 p-10 -51.93 -64.32 0.85 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.585 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 1.038 ' N ' ' OD1' ' A' ' 2' ' ' ASP . . . 95.27 -50.18 1.89 Allowed Glycine 0 CA--C 1.526 0.746 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.1 m -163.68 -31.71 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.751 0.31 . . . . 0.0 110.562 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -163.66 -118.63 0.45 Allowed Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.784 ' O ' ' CB ' ' A' ' 7' ' ' GLN . 5.0 tp10 -137.79 105.03 5.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.808 0.337 . . . . 0.0 110.668 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.784 ' CB ' ' O ' ' A' ' 6' ' ' GLU . 7.7 tp-100 109.99 40.78 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.589 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.751 ' HD3' ' H ' ' A' ' 7' ' ' GLN . 55.5 Cg_endo -73.5 75.89 2.88 Favored 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.732 2.288 . . . . 0.0 112.123 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.742 ' O ' ' O ' ' A' ' 8' ' ' PRO . 37.3 mtp180 -29.7 162.8 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.622 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.478 ' O ' ' C ' ' A' ' 11' ' ' GLY . . . -158.61 95.23 0.14 Allowed Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.478 ' C ' ' O ' ' A' ' 10' ' ' GLY . . . -33.09 118.29 0.17 Allowed Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.71 ' N ' ' HD3' ' A' ' 13' ' ' PRO . . . 85.07 41.13 7.67 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.71 ' HD3' ' N ' ' A' ' 12' ' ' GLY . 57.2 Cg_exo -46.53 -81.41 0.02 OUTLIER 'Trans proline' 0 C--N 1.306 -1.685 0 C-N-CA 122.819 2.346 . . . . 0.0 112.032 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.644 ' C ' ' O ' ' A' ' 13' ' ' PRO . 32.3 p -15.6 101.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.58 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.795 ' O ' ' CD1' ' A' ' 19' ' ' ILE . 11.2 p -132.12 -151.21 0.45 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.601 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.418 ' H ' ' HB2' ' A' ' 15' ' ' SER . 20.6 m -95.87 -9.03 32.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.629 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -86.39 -49.78 7.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.642 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 98.3 mm-40 -66.16 -23.62 66.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.569 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.795 ' CD1' ' O ' ' A' ' 15' ' ' SER . 70.4 mt -81.76 -55.02 8.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.521 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 52.4 ttp -53.67 -36.33 62.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.46 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.405 ' O ' HD23 ' A' ' 25' ' ' LEU . 94.5 mttt -67.54 -45.92 74.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.481 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 40.3 p -72.49 -7.77 51.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.591 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -79.9 -53.98 4.05 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.21 -9.33 59.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.837 0.351 . . . . 0.0 110.512 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.547 ' O ' ' C ' ' A' ' 26' ' ' LEU . 2.1 mm? -86.72 -80.68 0.24 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.529 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.547 ' C ' ' O ' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -26.99 -65.53 0.07 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.624 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.49 ' N ' HD12 ' A' ' 27' ' ' LEU . 10.8 mp -51.39 -57.75 8.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.558 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.521 ' NE2' ' C ' ' A' ' 28' ' ' GLN . 0.0 OUTLIER -47.58 -18.04 0.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.582 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.539 ' O ' ' N ' ' A' ' 31' ' ' ILE . . . -88.64 -72.67 1.28 Allowed Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 44.8 t80 -42.23 -18.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.804 0.335 . . . . 0.0 110.598 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.539 ' N ' ' O ' ' A' ' 29' ' ' GLY . 73.1 mt -77.02 -69.1 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.568 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.86 29.77 0.2 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.636 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.412 ' H ' ' C ' ' A' ' 31' ' ' ILE . 68.3 t0 -112.7 -51.32 2.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.52 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 -90.95 -27.29 18.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.524 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.469 ' CB ' HD22 ' A' ' 122' ' ' LEU . . . -98.81 -12.8 20.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.606 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -87.61 2.98 86.42 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 84.5 mtp180 -59.58 -42.09 91.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.822 0.344 . . . . 0.0 110.59 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 9.6 ptt? -81.41 134.0 35.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.557 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 56.93 -136.61 50.12 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.426 ' O ' ' HG3' ' A' ' 43' ' ' PRO . . . 148.33 -20.65 1.36 Allowed Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 41.8 tp10 -73.84 134.4 43.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.801 0.334 . . . . 0.0 110.639 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.622 ' N ' ' HD3' ' A' ' 43' ' ' PRO . . . 56.27 50.11 4.91 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.525 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.622 ' HD3' ' N ' ' A' ' 42' ' ' ALA . 51.9 Cg_exo -47.79 153.74 2.29 Favored 'Trans proline' 0 C--N 1.305 -1.731 0 C-N-CA 122.842 2.362 . . . . 0.0 112.126 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 70.9 mt-10 -93.25 -9.81 37.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.564 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.422 HD22 ' HA ' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -103.53 66.1 0.86 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.53 -179.934 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -74.05 138.39 44.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.594 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.458 ' HA ' HD12 ' A' ' 47' ' ' LEU . 28.0 tp -170.97 -85.19 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.536 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.623 ' O ' HG12 ' A' ' 50' ' ' VAL . 22.0 m-20 -162.07 49.96 0.27 Allowed Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.542 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.6 ' HD3' ' N ' ' A' ' 48' ' ' ASP . 63.5 Cg_exo -46.15 87.34 0.02 OUTLIER 'Trans proline' 0 C--N 1.306 -1.708 0 C-N-CA 122.833 2.356 . . . . 0.0 112.167 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.821 ' O ' HG13 ' A' ' 50' ' ' VAL . 10.9 p -178.3 74.43 0.22 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.582 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -75.69 116.28 4.41 Favored 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 122.777 2.318 . . . . 0.0 112.06 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.423 ' HG3' ' N ' ' A' ' 53' ' ' ASP . 14.1 pt20 -89.64 -46.1 8.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.541 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.423 ' N ' ' HG3' ' A' ' 52' ' ' GLN . 87.7 m-20 -82.33 138.3 34.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.523 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -85.23 -3.14 58.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.567 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 72.6 p -56.65 -40.24 75.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.597 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 72.8 p -80.27 -33.75 37.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.578 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -51.06 -54.4 25.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.566 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 30.7 ttpt -60.42 -47.48 85.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.454 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.642 HD23 ' O ' ' A' ' 59' ' ' LEU . 0.9 OUTLIER -62.11 -26.44 68.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.568 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.6 t -71.38 -35.41 71.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.491 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -63.7 -31.83 73.12 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.589 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.444 ' O ' HG22 ' A' ' 66' ' ' ILE . 97.6 m -64.19 -37.88 89.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.547 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.464 HD12 ' N ' ' A' ' 63' ' ' LEU . 9.9 mp -75.29 -24.77 57.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.534 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -84.2 -36.69 22.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.595 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.436 ' O ' ' OE2' ' A' ' 69' ' ' GLU . 99.5 mtt180 -68.46 -44.51 74.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.571 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.444 HG22 ' O ' ' A' ' 62' ' ' CYS . 20.7 tt -76.47 -35.09 25.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.507 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.425 ' O ' ' CB ' ' A' ' 71' ' ' ASP . . . -60.97 -45.48 96.5 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 48.1 t0 -62.7 -34.28 76.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.793 0.33 . . . . 0.0 110.621 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.539 ' N ' ' OE1' ' A' ' 69' ' ' GLU . 0.3 OUTLIER -79.69 -58.41 3.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.598 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.19 -43.05 74.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.579 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.425 ' CB ' ' O ' ' A' ' 67' ' ' GLY . 38.5 t70 -65.05 -8.8 17.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.558 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.3 t -96.35 7.02 47.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.557 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -92.97 111.5 23.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.547 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.976 ' HE1' ' OE2' ' B' ' 131' ' ' GLU . 96.0 mmm -68.31 -11.12 58.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.59 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -80.52 -67.16 0.8 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.569 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 7.3 tp -59.9 -40.26 88.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.544 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.749 HE22 ' HZ2' ' A' ' 119' ' ' LYS . 68.0 tp60 -61.74 -37.97 86.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.55 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 -68.56 -44.94 73.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.552 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.485 ' SD ' HG23 ' A' ' 182' ' ' THR . 73.4 mtp -54.42 -43.99 72.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.545 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.641 ' O ' HG12 ' A' ' 83' ' ' VAL . 83.1 mt -62.33 -23.71 32.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.613 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -85.99 -18.77 31.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.562 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -86.49 -15.3 40.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.552 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.875 HG13 ' O ' ' A' ' 83' ' ' VAL . 8.0 p -89.57 82.64 2.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.586 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.426 ' O ' ' O ' ' A' ' 83' ' ' VAL . 56.1 p-10 -40.49 162.3 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.575 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 63.7 p -119.53 119.45 33.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.593 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -148.34 -0.17 0.58 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.467 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.695 ' O ' HG12 ' A' ' 91' ' ' VAL . 46.8 t -175.9 88.91 0.28 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.516 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.488 ' O ' ' CB ' ' A' ' 92' ' ' PHE . 37.9 Cg_endo -69.61 -14.93 37.3 Favored 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.791 2.327 . . . . 0.0 112.08 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 17.4 ptt-85 -86.81 -33.61 19.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.486 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -79.98 -57.22 3.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.495 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.695 HG12 ' O ' ' A' ' 87' ' ' SER . 9.6 p -57.94 -50.87 76.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.5 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.651 ' N ' HG13 ' A' ' 91' ' ' VAL . 85.5 t80 -46.34 -51.93 13.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.578 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -68.14 -30.35 69.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.515 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 15.9 tpp180 -71.62 -57.85 4.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.542 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.621 HG23 ' N ' ' A' ' 96' ' ' ALA . 27.8 m -59.48 -48.0 88.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.471 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.621 ' N ' HG23 ' A' ' 95' ' ' VAL . . . -55.22 -27.63 47.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.552 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -81.88 -38.9 24.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.494 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 99' ' ' MET . 92.5 m-20 -63.27 -38.56 91.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.514 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . 0.542 ' HB2' HH21 ' A' ' 109' ' ' ARG . 64.0 mtt -38.45 -68.81 0.14 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.532 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.6 ' CD2' ' O ' ' A' ' 100' ' ' PHE . 17.2 p90 -111.31 57.44 0.63 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.544 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.2 t -74.62 -26.9 60.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.537 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.533 ' O ' ' C ' ' A' ' 103' ' ' GLY . 55.9 p-10 -155.53 -18.36 0.11 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.504 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.533 ' C ' ' O ' ' A' ' 102' ' ' ASP . . . -26.38 -80.72 0.01 OUTLIER Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . 0.607 ' O ' ' CG ' ' A' ' 105' ' ' PHE . 10.3 m-20 174.57 34.33 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.766 0.317 . . . . 0.0 110.614 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.607 ' CG ' ' O ' ' A' ' 104' ' ' ASN . 30.6 p90 42.7 29.04 0.14 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.574 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.521 ' O ' ' HB2' ' A' ' 107' ' ' TRP . 27.9 p30 -52.13 -110.46 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.598 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' TRP . . . . . 0.543 ' NE1' HG21 ' A' ' 110' ' ' VAL . 6.6 t90 174.7 -26.21 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.599 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.595 ' O ' HG12 ' A' ' 111' ' ' VAL . . . -50.07 -42.07 39.07 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.542 HH21 ' HB2' ' A' ' 99' ' ' MET . 0.0 OUTLIER -48.14 -26.18 1.78 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.869 0.366 . . . . 0.0 110.584 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.543 HG21 ' NE1' ' A' ' 107' ' ' TRP . 33.8 t -52.5 -57.9 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.57 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.595 HG12 ' O ' ' A' ' 108' ' ' GLY . 4.8 p -45.22 -46.81 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.521 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.579 ' N ' HG13 ' A' ' 111' ' ' VAL . . . -57.94 -35.35 70.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.551 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.653 ' O ' HD23 ' A' ' 113' ' ' LEU . 1.8 tt -56.69 -46.89 80.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.525 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.445 ' CZ ' ' CG1' ' A' ' 110' ' ' VAL . 9.9 m-85 -56.97 -44.19 82.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.559 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 93.4 t80 -68.04 -43.7 78.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.522 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.453 ' CE2' HG21 ' A' ' 95' ' ' VAL . 93.3 t80 -58.94 -41.9 88.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.538 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.491 ' O ' HG23 ' A' ' 121' ' ' VAL . . . -70.93 -32.51 69.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.575 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 5.1 t -48.67 -44.42 37.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.507 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.819 ' O ' ' CB ' ' A' ' 123' ' ' LYS . 58.0 mmtt -59.65 -43.63 93.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.558 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 53.3 mt -68.13 -31.31 70.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.551 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.735 HG13 HG23 ' A' ' 133' ' ' ILE . 59.3 t -77.09 -53.45 14.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.564 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.469 HD22 ' CB ' ' A' ' 35' ' ' ALA . 69.0 mt -73.08 -40.5 64.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.674 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.819 ' CB ' ' O ' ' A' ' 119' ' ' LYS . 88.7 tttt -58.35 -40.86 83.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.609 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.509 ' O ' ' OG1' ' A' ' 127' ' ' THR . . . -76.29 -20.98 56.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.561 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 5.0 tt -64.01 -31.0 72.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.598 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 1.7 t -85.01 -34.44 22.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.527 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.777 ' O ' ' HB2' ' A' ' 128' ' ' LYS . 32.9 p -54.25 -18.76 4.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.525 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.777 ' HB2' ' O ' ' A' ' 127' ' ' THR . 27.5 mmtp 88.13 43.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.58 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.49 ' CG2' ' OG1' ' A' ' 127' ' ' THR . 0.3 OUTLIER -147.48 90.7 5.18 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.578 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -72.79 -13.15 26.78 Favored 'Trans proline' 0 C--N 1.304 -1.767 0 C-N-CA 122.807 2.338 . . . . 0.0 112.009 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -65.69 -40.78 92.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.485 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 8.5 mp -61.12 -33.76 73.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.559 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.735 HG23 HG13 ' A' ' 121' ' ' VAL . 21.7 mm -57.07 -49.91 78.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.504 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 90.0 mtm180 -69.2 -34.72 75.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.529 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 7.3 m -67.51 -31.84 72.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.491 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.417 HG21 ' CG2' ' A' ' 121' ' ' VAL . 45.4 mt -69.8 -58.71 4.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.576 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 85.8 mtp -46.51 -25.52 0.7 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.559 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -68.71 -40.45 85.48 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' TRP . . . . . 0.509 ' CD1' ' N ' ' A' ' 139' ' ' TRP . 12.6 m0 -66.33 -24.42 66.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.806 0.336 . . . . 0.0 110.531 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' THR . . . . . 0.469 ' OG1' ' N ' ' A' ' 141' ' ' LEU . 22.8 p -75.51 -65.94 0.83 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.524 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.469 ' N ' ' OG1' ' A' ' 140' ' ' THR . 50.8 mt -51.76 -33.55 35.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.576 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -65.79 -51.03 62.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.559 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . 0.425 ' O ' ' HB2' ' A' ' 147' ' ' ARG . 5.7 t80 -66.86 -38.91 87.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.517 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.568 HD12 ' HB2' ' A' ' 148' ' ' LEU . 1.8 tp -71.09 -35.49 71.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.558 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 58.2 ttp180 -83.05 -10.59 58.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.554 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -112.0 -4.75 14.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.603 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . 1.152 ' O ' ' N ' ' A' ' 149' ' ' LEU . 12.2 mtp180 -142.11 -110.84 0.13 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.546 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . 0.816 ' H ' HD22 ' A' ' 148' ' ' LEU . 1.0 OUTLIER -15.39 -27.76 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.567 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . 1.152 ' N ' ' O ' ' A' ' 147' ' ' ARG . 43.7 tp -49.06 -56.37 9.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.583 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -63.91 -50.59 59.95 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 151' ' ' TRP . . . . . . . . . . . . . 99.3 m95 -66.25 -55.91 13.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.83 0.348 . . . . 0.0 110.541 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 152' ' ' ILE . . . . . 0.697 ' N ' ' O ' ' A' ' 148' ' ' LEU . 10.5 tt -51.28 -34.34 14.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.553 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 46.5 tt0 -67.49 -31.16 71.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.597 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -89.09 -4.67 58.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.62 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -97.38 0.76 48.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.584 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 83.75 24.64 48.93 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 89.77 -160.4 28.77 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 158' ' ' TRP . . . . . 0.502 ' CD1' HD11 ' A' ' 152' ' ' ILE . 32.4 m95 -73.86 -5.68 42.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.851 0.358 . . . . 0.0 110.57 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -60.89 -42.43 97.99 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.586 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -54.39 -32.26 51.94 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . 0.578 HD23 ' O ' ' A' ' 161' ' ' LEU . 2.1 tt -62.86 -54.05 44.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.878 0.37 . . . . 0.0 110.597 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 58.6 tp -66.99 -31.23 71.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.545 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 5.3 t -66.65 -26.51 67.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.54 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 93.5 t80 -76.25 -42.82 44.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.55 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -71.66 47.95 0.14 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.542 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -130.69 38.79 1.89 Allowed Glycine 0 CA--C 1.526 0.74 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 167' ' ' THR . . . . . 1.093 ' OG1' ' HD2' ' A' ' 168' ' ' PRO . 0.6 OUTLIER -108.28 -178.84 0.61 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 120.846 0.355 . . . . 0.0 110.609 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 168' ' ' PRO . . . . . 1.093 ' HD2' ' OG1' ' A' ' 167' ' ' THR . 56.9 Cg_endo -74.83 -146.77 0.03 OUTLIER 'Trans proline' 0 C--N 1.304 -1.782 0 C-N-CA 122.875 2.384 . . . . 0.0 112.227 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 169' ' ' THR . . . . . 0.601 ' C ' ' O ' ' A' ' 168' ' ' PRO . 29.3 p -21.64 100.31 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.546 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 170' ' ' TRP . . . . . 0.687 ' O ' HG22 ' A' ' 173' ' ' VAL . 34.0 p90 -64.14 -18.58 64.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.566 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 171' ' ' GLN . . . . . 0.51 ' NE2' ' OG1' ' A' ' 172' ' ' THR . 5.3 pp0? -47.35 -13.97 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.571 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 172' ' ' THR . . . . . 0.514 ' O ' HG22 ' A' ' 175' ' ' ILE . 5.0 m -87.14 -29.56 21.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.507 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 173' ' ' VAL . . . . . 0.687 HG22 ' O ' ' A' ' 170' ' ' TRP . 2.0 m -71.96 -45.73 62.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.593 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 174' ' ' THR . . . . . 0.566 ' N ' ' CG2' ' A' ' 173' ' ' VAL . 24.9 m -64.51 -24.94 67.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.55 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 175' ' ' ILE . . . . . 0.514 HG22 ' O ' ' A' ' 172' ' ' THR . 1.7 tt -85.81 -7.5 10.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.585 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 176' ' ' PHE . . . . . 0.483 ' O ' HG12 ' A' ' 180' ' ' VAL . 63.9 t80 -94.67 -60.07 1.79 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.548 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 3.2 m -62.09 -16.66 16.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.59 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 178' ' ' ALA . . . . . 0.624 ' O ' ' OG1' ' A' ' 182' ' ' THR . . . -95.57 -45.87 6.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.516 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -62.4 -26.15 67.71 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 180' ' ' VAL . . . . . 0.698 HG13 ' N ' ' A' ' 181' ' ' LEU . 13.7 p -86.25 -51.71 12.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.796 0.331 . . . . 0.0 110.574 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . 0.698 ' N ' HG13 ' A' ' 180' ' ' VAL . 41.1 tp -69.21 -48.08 63.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.595 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 182' ' ' THR . . . . . 0.624 ' OG1' ' O ' ' A' ' 178' ' ' ALA . 25.8 m -50.5 -51.32 48.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.588 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -47.4 -45.66 25.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.587 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 184' ' ' SER . . . . . . . . . . . . . 27.7 t -54.57 -37.87 65.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.526 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 61.5 mt -77.64 -21.65 51.91 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.586 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 21.0 m -73.28 -44.86 58.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.548 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 187' ' ' ILE . . . . . 0.638 HG23 ' N ' ' A' ' 188' ' ' TRP . 12.4 tt -73.71 -51.52 24.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.636 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 188' ' ' TRP . . . . . 0.638 ' N ' HG23 ' A' ' 187' ' ' ILE . 0.1 OUTLIER -30.81 -56.82 0.22 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.642 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 8.0 mmtt -175.83 128.18 0.24 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.589 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 190' ' ' LYS . . . . . . . . . . . . . 13.1 ptpt -109.77 89.53 3.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.597 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 191' ' ' MET . . . . . . . . . . . . . 83.1 mtp -128.6 136.54 50.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.527 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.779 0 CA-C-O 117.983 -1.454 . . . . 0.0 110.985 179.943 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 130' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 131' ' ' GLU . . . . . 0.976 ' OE2' ' HE1' ' A' ' 74' ' ' MET . 90.6 mt-10 -57.78 -56.52 20.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.533 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 132' ' ' ALA . . . . . 0.581 ' O ' ' N ' ' B' ' 134' ' ' LYS . . . -156.35 -90.18 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.565 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 133' ' ' LEU . . . . . 0.696 ' N ' HD12 ' B' ' 133' ' ' LEU . 6.9 mp 51.21 -82.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.487 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 134' ' ' LYS . . . . . 0.581 ' N ' ' O ' ' B' ' 132' ' ' ALA . 36.6 ttmt -55.37 -49.25 72.79 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.486 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 135' ' ' LYS . . . . . 0.532 ' NZ ' ' O ' ' B' ' 131' ' ' GLU . 22.5 pttp -96.49 152.92 18.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.571 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 136' ' ' ALA . . . . . 0.428 ' C ' HD12 ' B' ' 137' ' ' LEU . . . -147.99 -146.2 0.19 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.478 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 137' ' ' LEU . . . . . 0.613 ' N ' HD12 ' B' ' 137' ' ' LEU . 9.5 mp -96.14 125.04 40.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.55 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 138' ' ' ARG . . . . . 0.565 ' O ' ' HB2' ' B' ' 142' ' ' PHE . 84.3 mtp180 -85.81 -13.57 47.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.587 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 139' ' ' ARG . . . . . 0.463 ' O ' ' HB2' ' B' ' 143' ' ' LEU . 80.0 mtp180 -61.79 -41.66 98.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.514 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 140' ' ' HIS . . . . . 0.756 ' O ' ' N ' ' B' ' 143' ' ' LEU . 63.7 t-80 -82.07 -67.9 0.74 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.453 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 141' ' ' ARG . . . . . 0.465 ' C ' ' O ' ' B' ' 140' ' ' HIS . 70.7 ttt180 -33.4 -29.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.337 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 142' ' ' PHE . . . . . 0.62 ' N ' ' O ' ' B' ' 140' ' ' HIS . 14.0 m-85 -94.74 -27.59 15.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.419 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 143' ' ' LEU . . . . . 0.868 ' O ' HD23 ' B' ' 143' ' ' LEU . 2.1 tt -62.58 -30.39 71.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.485 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 144' ' ' TRP . . . . . 0.428 ' O ' ' C ' ' B' ' 145' ' ' GLN . 65.9 t-105 -91.05 -52.5 4.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.567 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 145' ' ' GLN . . . . . 0.549 ' O ' ' O ' ' B' ' 146' ' ' ARG . 50.0 tt0 -36.45 -67.71 0.16 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.551 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 146' ' ' ARG . . . . . 0.549 ' O ' ' O ' ' B' ' 145' ' ' GLN . 89.4 mtm180 35.02 -160.25 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.572 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 147' ' ' ARG . . . . . . . . . . . . . 12.9 tpp180 -73.46 132.51 43.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.605 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 148' ' ' GLN . . . . . . . . . . . . . 87.4 mt-30 -50.67 141.95 11.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.527 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 149' ' ' ARG . . . . . 0.417 ' O ' ' O ' ' B' ' 150' ' ' ALA . 70.4 ttt180 52.22 74.98 0.24 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.633 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 150' ' ' ALA . . . . . 0.417 ' O ' ' O ' ' B' ' 149' ' ' ARG . . . . . . . . 0 C--O 1.221 -0.442 0 CA-C-O 118.004 -0.998 . . . . 0.0 110.586 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.3 ptt? . . . . . 0 N--CA 1.491 1.575 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 1.075 ' OD1' ' N ' ' A' ' 3' ' ' GLY . 51.7 p30 -53.19 -61.99 1.94 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.506 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 1.075 ' N ' ' OD1' ' A' ' 2' ' ' ASP . . . 95.1 -46.49 2.03 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 14.9 m -157.76 -40.11 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.83 0.348 . . . . 0.0 110.582 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -166.27 -130.05 1.11 Allowed Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.921 ' O ' ' HB3' ' A' ' 7' ' ' GLN . 4.4 tp10 -141.34 107.97 5.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.794 0.331 . . . . 0.0 110.674 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.921 ' HB3' ' O ' ' A' ' 6' ' ' GLU . 6.5 tp-100 102.23 50.55 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.606 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.935 ' O ' ' O ' ' A' ' 9' ' ' ARG . 60.6 Cg_exo -46.07 131.22 14.01 Favored 'Trans proline' 0 C--N 1.306 -1.676 0 C-N-CA 122.849 2.366 . . . . 0.0 112.144 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.935 ' O ' ' O ' ' A' ' 8' ' ' PRO . 19.1 mtp180 12.59 124.83 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.549 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.468 ' O ' ' C ' ' A' ' 11' ' ' GLY . . . -147.04 7.84 1.22 Allowed Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.468 ' C ' ' O ' ' A' ' 10' ' ' GLY . . . 33.55 44.05 0.28 Allowed Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -152.14 -72.74 0.01 OUTLIER Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.955 ' O ' ' N ' ' A' ' 15' ' ' SER . 54.3 Cg_exo -47.52 -50.15 11.94 Favored 'Trans proline' 0 C--N 1.304 -1.773 0 C-N-CA 122.825 2.35 . . . . 0.0 112.064 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.602 ' O ' ' C ' ' A' ' 15' ' ' SER . 35.7 p -47.42 21.87 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.584 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.955 ' N ' ' O ' ' A' ' 13' ' ' PRO . 1.7 p 20.01 75.89 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.697 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 29.4 m -95.18 -18.59 20.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.541 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -92.78 -49.08 6.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.59 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -56.58 -33.65 66.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.64 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.902 HD12 ' O ' ' A' ' 15' ' ' SER . 64.8 mt -73.95 -50.35 29.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.602 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 48.4 ttp -58.06 -36.21 72.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.655 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.421 ' O ' HD23 ' A' ' 25' ' ' LEU . 96.6 mttt -68.17 -43.67 77.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.667 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 66.8 m -72.82 -14.26 61.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.611 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -74.2 -54.23 6.4 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.685 ' O ' ' CG ' ' A' ' 28' ' ' GLN . . . -77.17 -10.83 59.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.747 0.308 . . . . 0.0 110.571 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.533 ' O ' ' C ' ' A' ' 26' ' ' LEU . 1.9 mm? -86.22 -78.63 0.27 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.572 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.533 ' C ' ' O ' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -28.96 -64.59 0.1 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.534 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.406 ' O ' HG13 ' A' ' 31' ' ' ILE . 57.0 mt -52.33 -56.89 11.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.586 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.846 ' NE2' HD11 ' A' ' 45' ' ' LEU . 64.2 mm-40 -48.43 -18.12 0.21 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.602 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.532 ' O ' ' N ' ' A' ' 31' ' ' ILE . . . -88.47 -72.47 1.28 Allowed Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 43.4 t80 -42.39 -18.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.805 0.336 . . . . 0.0 110.574 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.532 ' N ' ' O ' ' A' ' 29' ' ' GLY . 90.2 mt -76.97 -69.03 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.564 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.542 ' O ' ' CG ' ' A' ' 32' ' ' GLN . 4.9 tt0 -78.99 29.86 0.21 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.519 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.412 ' H ' ' C ' ' A' ' 31' ' ' ILE . 65.9 t0 -112.85 -51.05 2.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.561 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.4 ' NH2' ' OD2' ' A' ' 71' ' ' ASP . 15.9 ptm180 -91.23 -26.97 18.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.602 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.471 ' CB ' HD22 ' A' ' 122' ' ' LEU . . . -99.25 -12.77 20.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.56 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.427 ' O ' ' O ' ' A' ' 39' ' ' GLY . . . -63.75 -34.67 90.56 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 74.3 ttt180 -55.61 -23.25 26.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.729 0.299 . . . . 0.0 110.484 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 7.4 tpp -60.44 -41.14 93.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.562 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.427 ' O ' ' O ' ' A' ' 36' ' ' GLY . . . -162.68 168.39 37.54 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -147.52 -13.61 0.15 Allowed Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.964 -0.855 . . . . 0.0 110.964 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -88.26 3.72 48.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.87 0.367 . . . . 0.0 110.648 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.578 ' N ' ' HD3' ' A' ' 43' ' ' PRO . . . -148.54 55.35 2.07 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.552 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.578 ' HD3' ' N ' ' A' ' 42' ' ' ALA . 46.0 Cg_exo -51.83 110.84 0.48 Allowed 'Trans proline' 0 C--N 1.304 -1.807 0 C-N-CA 122.822 2.348 . . . . 0.0 112.06 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.503 ' CD ' ' O ' ' A' ' 42' ' ' ALA . 57.2 mp0 -90.11 -12.99 36.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.579 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.846 HD11 ' NE2' ' A' ' 28' ' ' GLN . 32.0 tp -100.88 68.94 1.31 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.554 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.486 ' O ' ' CD1' ' A' ' 47' ' ' LEU . . . -77.57 140.56 39.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.608 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.486 ' CD1' ' O ' ' A' ' 46' ' ' ALA . 0.8 OUTLIER 170.14 -5.09 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.571 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.628 ' N ' ' HD3' ' A' ' 49' ' ' PRO . 56.1 m-20 58.43 52.69 4.83 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.591 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.628 ' HD3' ' N ' ' A' ' 48' ' ' ASP . 34.2 Cg_exo -53.37 -81.78 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.744 0 C-N-CA 122.781 2.321 . . . . 0.0 112.079 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.461 ' C ' ' O ' ' A' ' 49' ' ' PRO . 2.4 t 34.48 71.89 0.75 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.594 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -68.25 110.76 2.31 Favored 'Trans proline' 0 C--N 1.305 -1.724 0 C-N-CA 122.761 2.307 . . . . 0.0 112.079 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 63.8 mt-30 -63.3 -47.54 81.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.582 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -71.6 140.62 49.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.518 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -84.07 -2.84 57.46 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.618 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 10.4 t -56.74 -39.42 73.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.548 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 79.4 p -81.04 -33.84 33.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.603 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 30.0 ttpt -50.63 -54.71 20.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.538 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 30.3 ttpt -60.04 -47.56 85.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.661 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.5 mt -62.1 -26.44 68.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.541 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.7 t -71.16 -35.49 71.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.571 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 76.6 mt-10 -63.65 -31.91 73.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.539 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 94.5 m -64.24 -37.83 88.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.591 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.463 HD12 ' N ' ' A' ' 63' ' ' LEU . 10.9 mp -75.23 -24.65 57.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.598 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -84.29 -36.65 22.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.503 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.441 ' O ' ' OE2' ' A' ' 69' ' ' GLU . 99.7 mtt180 -68.59 -44.42 74.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.575 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 19.0 tt -76.5 -35.04 25.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.599 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.426 ' O ' ' CB ' ' A' ' 71' ' ' ASP . . . -61.01 -45.42 96.65 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 44.0 t0 -62.7 -34.35 76.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.85 0.357 . . . . 0.0 110.61 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.526 ' N ' ' OE1' ' A' ' 69' ' ' GLU . 0.3 OUTLIER -79.53 -58.57 3.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.563 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 2.2 mt -55.18 -43.06 74.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.55 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.426 ' CB ' ' O ' ' A' ' 67' ' ' GLY . 52.8 t0 -65.09 -8.72 17.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.602 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.5 t -96.33 7.0 47.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.62 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -92.95 111.51 23.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.535 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 51.8 ttp -68.34 -11.13 59.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.552 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -80.39 -67.33 0.78 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.571 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 56.0 tp -59.79 -40.2 87.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.642 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 45.0 tt0 -61.83 -37.93 86.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.592 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 75.8 ttt180 -68.5 -44.86 73.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.65 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.422 ' SD ' HG23 ' A' ' 182' ' ' THR . 54.8 mtt -54.56 -43.84 72.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.624 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.644 ' O ' HG12 ' A' ' 83' ' ' VAL . 82.5 mt -62.4 -23.8 33.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.573 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -85.89 -18.73 31.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.584 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -86.56 -15.19 40.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.6 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.872 HG13 ' O ' ' A' ' 83' ' ' VAL . 7.7 p -89.65 82.82 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.563 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 50.3 p-10 -41.54 161.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.546 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 79.4 m -118.72 121.95 41.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.598 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -150.7 0.27 0.41 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.46 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.648 ' O ' HG12 ' A' ' 91' ' ' VAL . 43.5 t -175.77 85.03 0.29 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.51 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.515 ' O ' ' CB ' ' A' ' 92' ' ' PHE . 28.6 Cg_endo -65.68 -17.13 56.02 Favored 'Trans proline' 0 C--N 1.305 -1.753 0 C-N-CA 122.781 2.321 . . . . 0.0 112.069 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 17.3 ptt-85 -84.63 -35.74 22.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.465 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -77.16 -58.61 3.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.52 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.665 HG13 ' N ' ' A' ' 92' ' ' PHE . 9.8 p -56.47 -51.94 58.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.553 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.665 ' N ' HG13 ' A' ' 91' ' ' VAL . 84.8 t80 -45.38 -52.95 9.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.479 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -67.19 -30.76 70.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.538 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 15.7 tpp180 -71.16 -58.27 3.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.482 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.627 HG23 ' N ' ' A' ' 96' ' ' ALA . 28.4 m -59.13 -48.23 87.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.553 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.627 ' N ' HG23 ' A' ' 95' ' ' VAL . . . -54.87 -27.75 45.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.542 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -81.82 -38.99 24.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.555 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 99' ' ' MET . 99.7 m-20 -63.02 -38.81 92.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.558 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . 0.539 ' HB2' HH21 ' A' ' 109' ' ' ARG . 64.6 mtt -38.29 -68.92 0.14 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.548 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.608 ' CD2' ' O ' ' A' ' 100' ' ' PHE . 17.2 p90 -111.24 57.64 0.62 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.498 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.3 t -74.79 -26.77 59.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.571 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.535 ' O ' ' C ' ' A' ' 103' ' ' GLY . 55.2 p-10 -155.63 -18.38 0.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.605 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.535 ' C ' ' O ' ' A' ' 102' ' ' ASP . . . -26.27 -80.75 0.01 OUTLIER Glycine 0 CA--C 1.524 0.594 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . 0.609 ' O ' ' CG ' ' A' ' 105' ' ' PHE . 9.1 m-20 174.57 34.31 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.725 0.298 . . . . 0.0 110.491 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.609 ' CG ' ' O ' ' A' ' 104' ' ' ASN . 31.0 p90 42.72 29.17 0.15 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.56 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.523 ' O ' ' HB2' ' A' ' 107' ' ' TRP . 26.9 p30 -52.2 -110.33 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.604 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' TRP . . . . . 0.529 ' HE1' HD12 ' A' ' 148' ' ' LEU . 6.3 t90 174.47 -26.11 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.617 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.598 ' O ' HG12 ' A' ' 111' ' ' VAL . . . -50.2 -42.07 40.16 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.539 HH21 ' HB2' ' A' ' 99' ' ' MET . 0.0 OUTLIER -48.18 -25.99 1.72 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.818 0.342 . . . . 0.0 110.575 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.529 HG21 ' NE1' ' A' ' 107' ' ' TRP . 37.2 t -52.69 -57.83 3.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.57 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.598 HG12 ' O ' ' A' ' 108' ' ' GLY . 4.9 p -45.27 -46.82 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.527 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.583 ' N ' HG13 ' A' ' 111' ' ' VAL . . . -58.04 -35.05 70.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.602 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.668 ' O ' HD23 ' A' ' 113' ' ' LEU . 2.0 tt -56.89 -46.73 81.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.539 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.446 ' CZ ' ' CG1' ' A' ' 110' ' ' VAL . 10.0 m-85 -57.29 -43.93 83.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.544 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 92.0 t80 -68.23 -43.4 78.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.448 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.456 ' CE2' HG21 ' A' ' 95' ' ' VAL . 93.0 t80 -59.19 -41.87 89.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.552 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.506 ' O ' HG23 ' A' ' 121' ' ' VAL . . . -71.08 -32.47 69.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.549 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 5.0 t -48.59 -44.16 36.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.516 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.817 ' O ' ' CB ' ' A' ' 123' ' ' LYS . 58.7 mmtt -60.13 -43.69 95.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.504 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 52.5 mt -68.03 -30.96 70.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.531 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.704 HG13 HG23 ' A' ' 133' ' ' ILE . 58.5 t -77.39 -53.59 14.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.542 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.471 HD22 ' CB ' ' A' ' 35' ' ' ALA . 69.7 mt -72.74 -40.92 65.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.587 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.817 ' CB ' ' O ' ' A' ' 119' ' ' LYS . 88.8 tttt -58.08 -41.01 82.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.548 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.514 ' O ' ' OG1' ' A' ' 127' ' ' THR . . . -75.85 -21.57 57.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.488 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.406 HD12 ' HA ' ' A' ' 125' ' ' LEU . 43.1 tp -63.52 -31.84 73.12 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.593 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 5.7 t -83.65 -35.32 24.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.549 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.739 ' O ' ' HB2' ' A' ' 128' ' ' LYS . 35.5 p -54.07 -19.59 5.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.497 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.739 ' HB2' ' O ' ' A' ' 127' ' ' THR . 77.9 mttt 87.57 46.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.56 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.491 ' CG2' ' OG1' ' A' ' 127' ' ' THR . 0.2 OUTLIER -148.9 85.97 5.86 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.543 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . 0.408 ' HA ' HG12 ' A' ' 133' ' ' ILE . 34.4 Cg_endo -67.66 -15.84 45.41 Favored 'Trans proline' 0 C--N 1.305 -1.761 0 C-N-CA 122.762 2.308 . . . . 0.0 112.037 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 46.7 tt0 -62.96 -42.71 99.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.469 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 8.6 mp -59.51 -34.41 72.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.502 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.704 HG23 HG13 ' A' ' 121' ' ' VAL . 22.2 mm -56.65 -50.35 74.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.548 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . 0.429 HH21 ' H ' ' A' ' 46' ' ' ALA . 2.1 mpt_? -69.04 -34.84 75.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.464 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 8.9 m -67.07 -31.96 72.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.517 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.422 HG21 ' CG2' ' A' ' 121' ' ' VAL . 44.7 mt -69.72 -58.99 4.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.558 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 5.2 ptm -46.3 -25.52 0.64 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.542 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -68.57 -40.51 86.07 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' TRP . . . . . 0.503 ' CD1' ' N ' ' A' ' 139' ' ' TRP . 13.4 m0 -66.44 -24.31 66.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.833 0.349 . . . . 0.0 110.578 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' THR . . . . . 0.478 ' OG1' ' N ' ' A' ' 141' ' ' LEU . 20.7 p -75.59 -65.75 0.86 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.513 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.478 ' N ' ' OG1' ' A' ' 140' ' ' THR . 53.0 mt -51.89 -33.62 37.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.508 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -65.64 -51.14 61.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.568 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . 0.437 ' O ' ' HB2' ' A' ' 147' ' ' ARG . 5.4 t80 -66.8 -38.89 87.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.53 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.562 HD12 ' HB2' ' A' ' 148' ' ' LEU . 1.8 tp -71.02 -35.58 72.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.563 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 58.9 ttp180 -82.96 -10.76 58.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.559 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -111.97 -4.64 14.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.589 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . 1.153 ' O ' ' N ' ' A' ' 149' ' ' LEU . 11.0 mtp180 -142.18 -110.91 0.13 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.536 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . 0.812 ' H ' HD22 ' A' ' 148' ' ' LEU . 1.0 OUTLIER -15.27 -27.81 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.598 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . 1.153 ' N ' ' O ' ' A' ' 147' ' ' ARG . 60.7 tp -49.14 -56.32 9.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.554 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -63.9 -50.63 59.67 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 151' ' ' TRP . . . . . . . . . . . . . 99.0 m95 -66.23 -55.84 14.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.825 0.345 . . . . 0.0 110.541 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 152' ' ' ILE . . . . . 0.697 ' N ' ' O ' ' A' ' 148' ' ' LEU . 10.8 tt -51.37 -34.3 15.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.572 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -67.38 -31.39 71.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.56 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -89.0 -4.43 58.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.521 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -97.61 0.79 47.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.555 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 83.65 24.57 49.61 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 89.91 -160.33 28.55 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 158' ' ' TRP . . . . . 0.482 ' CD1' HD11 ' A' ' 152' ' ' ILE . 34.1 m95 -74.01 -5.56 42.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.803 0.335 . . . . 0.0 110.587 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 65.1 t0 -61.03 -42.32 98.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.588 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -54.56 -32.04 52.94 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . 0.583 HD23 ' O ' ' A' ' 161' ' ' LEU . 2.0 tt -63.07 -53.92 46.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.872 0.368 . . . . 0.0 110.565 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 56.9 tp -67.26 -30.86 70.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.592 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 22.0 t -67.11 -25.73 66.35 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.586 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 93.2 t80 -77.24 -42.39 37.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.574 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -71.6 48.27 0.14 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.584 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -131.57 39.58 1.75 Allowed Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 167' ' ' THR . . . . . 0.943 ' OG1' ' HD2' ' A' ' 168' ' ' PRO . 0.6 OUTLIER -108.98 177.55 1.23 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 120.867 0.365 . . . . 0.0 110.577 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 168' ' ' PRO . . . . . 0.943 ' HD2' ' OG1' ' A' ' 167' ' ' THR . 38.1 Cg_endo -69.64 -145.15 0.02 OUTLIER 'Trans proline' 0 C--N 1.304 -1.774 0 C-N-CA 122.808 2.339 . . . . 0.0 112.064 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 169' ' ' THR . . . . . 0.578 ' C ' ' O ' ' A' ' 168' ' ' PRO . 20.6 p -24.73 103.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.551 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 170' ' ' TRP . . . . . 0.68 ' O ' HG22 ' A' ' 173' ' ' VAL . 31.1 p90 -66.08 -18.61 65.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.571 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 171' ' ' GLN . . . . . 0.53 ' NE2' ' OG1' ' A' ' 172' ' ' THR . 5.4 pp0? -47.0 -14.29 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.479 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 172' ' ' THR . . . . . 0.53 ' OG1' ' NE2' ' A' ' 171' ' ' GLN . 5.0 m -86.85 -29.48 22.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.58 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 173' ' ' VAL . . . . . 0.68 HG22 ' O ' ' A' ' 170' ' ' TRP . 2.0 m -72.17 -45.56 61.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.619 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 174' ' ' THR . . . . . 0.567 ' N ' ' CG2' ' A' ' 173' ' ' VAL . 24.9 m -64.63 -24.97 67.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.557 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 175' ' ' ILE . . . . . 0.516 HG22 ' O ' ' A' ' 172' ' ' THR . 1.7 tt -85.72 -7.41 10.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.613 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 176' ' ' PHE . . . . . 0.484 ' O ' HG12 ' A' ' 180' ' ' VAL . 63.8 t80 -94.71 -60.09 1.78 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.497 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 3.1 m -62.13 -16.62 16.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.595 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 178' ' ' ALA . . . . . 0.618 ' O ' ' OG1' ' A' ' 182' ' ' THR . . . -95.57 -45.92 6.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.575 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -62.31 -26.18 67.56 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 180' ' ' VAL . . . . . 0.699 HG13 ' N ' ' A' ' 181' ' ' LEU . 13.6 p -86.23 -51.78 12.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.837 0.351 . . . . 0.0 110.586 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . 0.699 ' N ' HG13 ' A' ' 180' ' ' VAL . 42.0 tp -69.23 -47.98 63.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.614 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 182' ' ' THR . . . . . 0.618 ' OG1' ' O ' ' A' ' 178' ' ' ALA . 26.5 m -50.54 -51.41 48.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.552 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -47.33 -45.61 24.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.622 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 184' ' ' SER . . . . . . . . . . . . . 27.8 t -54.53 -37.85 65.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.552 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 58.4 mt -77.7 -21.72 51.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.517 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 20.5 m -73.22 -44.79 59.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.635 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 187' ' ' ILE . . . . . 0.635 HG23 ' N ' ' A' ' 188' ' ' TRP . 12.2 tt -73.72 -51.67 23.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.556 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 188' ' ' TRP . . . . . 0.635 ' N ' HG23 ' A' ' 187' ' ' ILE . 0.2 OUTLIER -30.66 -56.98 0.21 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.59 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 8.1 mmtt -175.78 128.25 0.24 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.559 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 190' ' ' LYS . . . . . . . . . . . . . 36.4 pttt -109.91 89.53 3.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.561 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 191' ' ' MET . . . . . . . . . . . . . 82.8 mtp -128.56 136.57 50.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.518 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.819 0 CA-C-O 118.036 -1.424 . . . . 0.0 110.888 179.962 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 130' ' ' CYS . . . . . 0.753 ' SG ' ' HG3' ' B' ' 131' ' ' GLU . 0.5 OUTLIER . . . . . 0 N--CA 1.491 1.602 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 131' ' ' GLU . . . . . 0.753 ' HG3' ' SG ' ' B' ' 130' ' ' CYS . 84.1 mt-10 -131.66 166.01 22.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.543 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 132' ' ' ALA . . . . . 0.594 ' O ' ' O ' ' B' ' 131' ' ' GLU . . . 51.83 120.86 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.532 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 133' ' ' LEU . . . . . 0.656 ' N ' HD12 ' B' ' 133' ' ' LEU . 8.8 mp -92.95 -5.46 50.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.59 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 134' ' ' LYS . . . . . . . . . . . . . 68.6 mttm 48.83 24.32 0.81 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.626 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 135' ' ' LYS . . . . . . . . . . . . . 61.1 tttm -161.67 75.12 0.47 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.526 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 136' ' ' ALA . . . . . . . . . . . . . . . -172.45 9.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.55 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 76.2 mt -84.47 -81.08 0.19 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.566 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 138' ' ' ARG . . . . . . . . . . . . . 10.5 ptp85 -73.63 -24.64 60.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.542 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 139' ' ' ARG . . . . . . . . . . . . . 75.7 ttt-85 -61.81 -43.12 99.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.581 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 140' ' ' HIS . . . . . 0.649 ' O ' ' N ' ' B' ' 143' ' ' LEU . 0.1 OUTLIER -79.56 -64.91 1.08 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.531 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 141' ' ' ARG . . . . . 0.508 ' N ' ' CG ' ' B' ' 140' ' ' HIS . 58.3 ttp180 -34.24 -32.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.511 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 142' ' ' PHE . . . . . 0.536 ' N ' ' O ' ' B' ' 140' ' ' HIS . 69.1 t80 -90.6 -33.06 16.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.559 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 143' ' ' LEU . . . . . 0.649 ' N ' ' O ' ' B' ' 140' ' ' HIS . 39.5 tp -54.78 -36.12 64.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.568 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 144' ' ' TRP . . . . . 0.501 ' O ' ' C ' ' B' ' 145' ' ' GLN . 45.3 t90 -84.36 -58.71 2.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.542 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 145' ' ' GLN . . . . . 0.586 ' O ' ' N ' ' B' ' 147' ' ' ARG . 57.0 tt0 -31.68 -68.85 0.08 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.614 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 146' ' ' ARG . . . . . . . . . . . . . 60.3 ttm-85 51.91 -81.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.57 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 147' ' ' ARG . . . . . 0.586 ' N ' ' O ' ' B' ' 145' ' ' GLN . 68.5 ttt180 -138.24 137.3 37.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.581 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 148' ' ' GLN . . . . . . . . . . . . . 26.2 mp0 -71.82 134.32 46.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.589 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 51.49 76.38 0.17 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.594 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 150' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.49 0 CA-C-O 118.0 -1.0 . . . . 0.0 110.565 -179.999 . . . . . . . . 0 0 . 1 stop_ save_